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1-(苯磺酰基)-4-氯-5-硝基吡咯并[2,3-b]吡啶 | 1245649-52-8

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

1-(苯磺酰基)-4-氯-5-硝基吡咯并[2,3-b]吡啶

中文别名

1-(苯磺酰基)-4-氯-5-硝基-1H-吡咯并[2,3-B]吡啶；4-氯-5-硝基-1-苯磺酰基-1H-吡咯[2,3-B]吡啶

英文名称

4-chloro-5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

英文别名

1-benzenesulfonyl-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine；1-(benzenesulfonyl)-4-chloro-5-nitropyrrolo[2,3-b]pyridine

CAS

1245649-52-8

化学式

C₁₃H₈ClN₃O₄S

mdl

——

分子量

337.743

InChiKey

VDNRYINHXTYMIT-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

539.9±60.0 °C(Predicted)
密度：

1.63±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.9
重原子数：

22
可旋转键数：

2
环数：

3.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

106
氢给体数：

0
氢受体数：

5

安全信息

危险性防范说明：

P280,P305+P351+P338
危险性描述：

H302,H317
储存条件：

存储条件：2-8℃，需使用惰性气体保存。

SDS

SDS：a64e19dc204dccec436c9dc12db044e0

查看

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
4-氯-1-苯磺酰基-1H-吡咯并[2,3-b]吡啶	4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine	744209-63-0	C₁₃H₉ClN₂O₂S	292.746

下游产品

中文名称	英文名称	CAS号	化学式	分子量
4-氯-1-苯磺酰基-1H-吡咯并[2,3-b]吡啶	4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine	744209-63-0	C₁₃H₉ClN₂O₂S	292.746
——	4-methyl-5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine	1287747-65-2	C₁₄H₁₁N₃O₄S	317.325
——	3-[4-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-piperidin-1-yl]-propionitrile	1315495-24-9	C₂₁H₂₂N₆O₄S	454.509
——	(1-Benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-yl)-(S)-tetrahydro-pyran-3-yl-amine	1315497-10-9	C₁₈H₁₈N₄O₅S	402.431
——	5-nitro-1-(phenylsulfonyl)-N-(tetrahydro-2H-pyran-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine	1315497-06-3	C₁₈H₁₈N₄O₅S	402.431
——	(1S,3R)-3-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentanecarboxylic acid	1418200-13-1	C₁₉H₁₈N₄O₆S	430.441
——	(1R,3S)-3-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentanecarboxylic acid	1418200-05-1	C₁₉H₁₈N₄O₆S	430.441
——	(1S,3R)-3-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentanecarboxylic acid methyl ester	1418200-14-2	C₂₀H₂₀N₄O₆S	444.468
——	(1R,3S)-3-( 1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentanecarboxylic acid methyl ester	1418200-06-2	C₂₀H₂₀N₄O₆S	444.468
——	1-(benzenesulfonyl)-4-(1-ethoxyvinyl)-5-nitro-pyrrolo[2,3-b]pyridine	1401447-75-3	C₁₇H₁₅N₃O₅S	373.389
——	[(1R,3S)-3-( 1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentyl]-carbamic acid tert-butyl ester	1315495-85-2	C₂₃H₂₇N₅O₆S	501.563
——	(+/)-cis-[3-(5-nitro-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentyl]-carbamic acid tert-butyl ESTER	1315495-90-9	C₂₃H₂₇N₅O₆S	501.563
——	(+/-)-trans-[3-(5-nitro-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentyl]-carbamic acid tert-butyl ester	——	C₂₃H₂₇N₅O₆S	501.563
——	4-(1-benzenesulphonyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-4ylamino)piperidine-1-carboxylic acid tert-butyl ester	1315495-05-6	C₂₃H₂₇N₅O₆S	501.563
——	1-[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]ethanone	1401447-90-2	C₁₅H₁₃N₃O₃S	315.353
——	(R)-N-(1-benzylpyrrolidin-3-yl)-5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-amine	1315496-99-1	C₂₄H₂₃N₅O₄S	477.544
——	4-(5-nitro-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-4-ylamino)-4-methylpiperdine-1-carboxylic acid tert-butyl ester	1315495-69-2	C₂₄H₂₉N₅O₆S	515.59
——	1-(benzenesulfonyl)-N-(1-ethyl-3,3-difluoropiperidin-4-yl)-5-nitropyrrolo[2,3-b]pyridin-4-amine	1315500-23-2	C₂₀H₂₁F₂N₅O₄S	465.481
——	tert-butyl {(3S)-1-[5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl}carbamate	1620011-19-9	C₂₃H₂₇N₅O₆S	501.563
——	3-[4-(5-amino-1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-piperidine-1-yl]-propanenitrile	1315495-25-0	C₂₁H₂₄N₆O₂S	424.527
——	5-amino-1-(toluene-4-sulfonyl)-1H-pyrroIo[2,3-b]pyridine-4-carboxylic acid amide	1401447-83-3	C₁₅H₁₄N₄O₃S	330.367
——	1-(phenylsulfonyl)-N4-(tetrahydro-2H-pyran-3-yl)-1H-pyrrolo[2,3-b]pyridine-4,5-diamine	1315497-07-4	C₁₈H₂₀N₄O₃S	372.448
——	(1R,3S)-3-(5-amino-1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentanecarboxylic acid methyl ester	1418200-07-3	C₂₀H₂₂N₄O₄S	414.485
——	3-[[5-amino-1-(phenylsulfony)l-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-azetidine-1-carboxylic acid tert-butyl ester	1315494-65-5	C₂₁H₂₅N₅O₄S	443.527
——	(+/-)-cis-[3-(5-amino-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentyl]-carbamic acid tert-butyl ester	——	C₂₃H₂₉N₅O₄S	471.58
——	(+/-)-cis-[3-(5-amino-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-cyclopentyl]-carbamic acid tert-butyl ester	——	C₂₃H₂₉N₅O₄S	471.58
——	9-chloro-3-(toluene-4-sulfonyl)-3H-3,4,6,8-tetraaza-cyclopenta[a]naphthalene	1401447-85-5	C₁₆H₁₁ClN₄O₂S	358.808
——	4-(5-amino-1-benzenesulphonyl-1H-pyrrolo[2,3-b]pyridine-4ylamino)piperidine-1-carboxylic acid tert-butyl ester	1315495-07-8	C₂₃H₂₉N₅O₄S	471.58
——	1-(benzenesulfonyl)-4-N-(1-ethyl-3,3-difluoropiperidin-4-yl)pyrrolo[2,3-b]pyridine-4,5-diamine	1315499-47-8	C₂₀H₂₃F₂N₅O₂S	435.498
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropanamide	1415388-74-7	C₂₅H₃₀N₆O₃S	494.618
——	4-(5-amino-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-4-ylamino)-4-methyl-piperdine-1-carboxylic acid tert-butyl ester	1315495-70-5	C₂₄H₃₁N₅O₄S	485.607
——	N-{1-benzenesulfonyl-4-[1-(2-cyano-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-yl}-butyramide	1315495-32-9	C₂₅H₃₀N₆O₃S	494.618
——	N4-[(3R)-1-(phenylmethyl)-pyrrolidin-3-yl]-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-4,5-diamine	1315497-00-7	C₂₄H₂₅N₅O₂S	447.561
——	tert-butyl {(3S)-1-[5-amino-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl}carbamate	1620011-20-2	C₂₃H₂₉N₅O₄S	471.58
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]cyclopropanecarboxamide	1415388-73-6	C₂₅H₂₈N₆O₃S	492.602
——	N4-[(3R)-1-(phenylmethyl)-piperidin-3-yl]-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-4,5-diamine	1315494-62-2	C₂₅H₂₇N₅O₂S	461.588
——	N-{1-benzenesulfonyl-4-[1-(2-cyano-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-yl}-2-cyclopentyl-acetamide	1315495-15-8	C₂₈H₃₄N₆O₃S	534.682
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]-2-(oxan-4-yl)acetamide	1415388-78-1	C₂₈H₃₄N₆O₄S	550.682
——	S-[[1-[3-(p-tolylsulfonyl)pyrrolo[3,2-f][1,7]naphthyridin-9-yl]-4-piperidyl]methyl]ethanethioate	1401448-24-5	C₂₅H₂₆N₄O₃S₂	494.638
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]cyclobutanecarboxamide	1415388-75-8	C₂₆H₃₀N₆O₃S	506.629
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]-3-(oxolan-2-yl)propanamide	1415388-77-0	C₂₈H₃₄N₆O₄S	550.682
——	(3R)-3-(5-amino-1-benzenesulphonyl-1H-pyrrolo[2,3-b]pyridine-4-ylamino)piperidine-1-carboxylic acid tert-butyl ester	1315499-27-4	C₂₃H₂₉N₅O₄S	471.58
——	[1-[3-(p-tolylsulfonyl)pyrrolo[3,2-f][1,7]naphthyridin-9-yl]-4-piperidyl]methanesulfonic acid	1401448-25-6	C₂₃H₂₄N₄O₅S₂	500.599
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]-2-(oxolan-2-yl)acetamide	1415388-76-9	C₂₇H₃₂N₆O₄S	536.655
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]-3-pyrazol-1-ylpropanamide	1415388-80-5	C₂₇H₃₀N₈O₃S	546.653
——	N-[1-(benzenesulfonyl)-4-[[1-(2-cyanoethyl)piperidin-4-yl]amino]pyrrolo[2,3-b]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)propanamide	1415388-81-6	C₂₈H₃₂N₈O₃S	560.68
——	3-(toluene-4-sulfonyl)-3H-3,4,6,8-tetraaza-cyclopenta[a]naphthalen-9-ol	1401447-84-4	C₁₆H₁₂N₄O₃S	340.362
——	3-benzenesulfonyl-3H-3,4,6,7-tetraazacyclopenta[a]naphthalen-9-ol	1401447-91-3	C₁₅H₁₀N₄O₃S	326.335
——	[1-[3-(p-tolylsulfonyl)pyrrolo[3,2-f][1,7]naphthyridin-9-yl]-4-piperidyl]methyl4-methylbenzenesulfonate	1401448-23-4	C₃₀H₃₀N₄O₅S₂	590.724
——	1-cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]-pyrrolo[2,3-b]pyridine	1315499-72-9	C₂₀H₂₀N₄O₂S	380.47
——	3-[6-(phenylsulfonyl)-imidazo[4,5-d]pyrrolo[2,3-b]pyridine-1(6H)-yl]-azetidine-1-carboxylic acid tert-butyl ester	1315494-66-6	C₂₂H₂₃N₅O₄S	453.522
——	cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-ylmethanol	1315499-38-7	C₂₁H₂₂N₄O₃S	410.497
——	4-[6-phenylsulfonyl-4-(imidazo[4,5-d]pyrrolo[2,3-b]-pyridin-1(6H)-yl)]-4-methyl-piperidine-1-carboxylic acid tert-butyl ester	1315495-71-6	C₂₅H₂₉N₅O₄S	495.602
——	3-[4-[4-(Aminomethyl)-10-(benzenesulfonyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1315497-26-7	C₂₃H₂₅N₇O₂S	463.563
——	1-[(3R)-1-(phenylmethyl)-pyrrolidin-3-yl]-6-(phenylsulfonyl)-1,6-dihydro-imidazo[4,5-d]pyrrolo[2,3-b]pyridine	1315497-01-8	C₂₅H₂₃N₅O₂S	457.556
——	N-[[10-(benzenesulfonyl)-3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]methanesulfonamide	1315497-14-3	C₂₂H₂₅N₅O₄S₂	487.604
——	(R)-1-(1-(trans-4-aminocyclohexyl)-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)ethanol	1315498-14-6	C₂₂H₂₅N₅O₃S	439.538
——	1-[(3R)-1-(phenylmethyl)-piperidin-3-yl]-6-(phenylsulfonyl)-1,6-dihydro-imidazo[4,5-d]pyrrolo[2,3-b]pyridine	1315494-63-3	C₂₆H₂₅N₅O₂S	471.583
——	2-(1-cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)propan-2-ol	1440422-00-3	C₂₃H₂₆N₄O₃S	438.55
——	1-(1-benzylpiperidin-4-yl)-2-methyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	1315494-73-5	C₂₇H₂₇N₅O₂S	485.61
——	3-[4-[10-(Benzenesulfonyl)-4-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-83-8	C₂₅H₂₈N₆O₂S	476.602
——	3-[4-[10-(Benzenesulfonyl)-4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-82-7	C₂₅H₂₆N₆O₂S	474.586
——	N-[[10-(benzenesulfonyl)-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]methanesulfonamide	1350438-52-6	C₂₃H₂₅F₃N₆O₄S₂	570.617
——	(1S)-1-[10-(benzenesulfonyl)-3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol	1440421-94-2	C₂₂H₂₄N₄O₃S	424.524
——	(R)-1-(1-cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)ethanol	1315499-31-0	C₂₂H₂₄N₄O₃S	424.524
——	2-(1-cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)ethanol	1440421-92-0	C₂₂H₂₄N₄O₃S	424.524
——	3-[4-[10-(Benzenesulfonyl)-4-propyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1315495-33-0	C₂₅H₂₈N₆O₂S	476.602
——	N-[2-(6-benzenesulfonyl-1-cyclohexyl-1,6-dihydro-1,3,5,6-tetraaza-as-indacen-2-yl)-ethyl]-acetamide	1315499-46-7	C₂₄H₂₇N₅O₃S	465.576
——	ethyl 2-(1-cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetate	1440421-89-5	C₂₄H₂₆N₄O₄S	466.561
——	1-[10-(Benzenesulfonyl)-3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]propan-1-ol	1440422-02-5	C₂₃H₂₆N₄O₃S	438.55
——	(1R)-1-[10-(benzenesulfonyl)-3-piperidin-4-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol	1315499-58-1	C₂₁H₂₃N₅O₃S	425.511
——	3-[4-[4-(2-Aminoethyl)-10-(benzenesulfonyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1315495-28-3	C₂₄H₂₇N₇O₂S	477.59
——	3-[4-[10-(Benzenesulfonyl)-4-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-84-9	C₂₆H₂₈N₆O₂S	488.613
——	(R)-1-[1-((1S,3R)-3-amino-cyclopentyl)-6-benzenesulfonyl-1,6-dihydro-1,3,5,6-tetraaza-as-indacen-2-yl]-ethanol	1418200-22-2	C₂₁H₂₃N₅O₃S	425.511
——	(1R)-1-[3-[(1S,3S)-3-aminocyclopentyl]-10-(benzenesulfonyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol	1440422-39-8	C₂₁H₂₃N₅O₃S	425.511
——	N-[2-[10-(benzenesulfonyl)-3-[1-(2-cyanoethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide	1315500-34-5	C₂₅H₂₉N₇O₄S₂	555.682
——	(R)-1-(6-benzenesulfonyl-1-[(1S,3R)-3-(2,2,2-trifluoro-ethylamino)-cyclopentyl]-1,6-dihydro-1,3,5,6-tetraaza-as-indacen-2-yl)-ethanol	1418200-23-3	C₂₃H₂₄F₃N₅O₃S	507.536
——	(1R)-1-[10-(benzenesulfonyl)-3-[(1S,3S)-3-(2,2,2-trifluoroethylamino)cyclopentyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol	1440422-25-2	C₂₃H₂₄F₃N₅O₃S	507.536
——	(±)-2-(benzyloxy)-1-(1-cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)ethanol	1315499-73-0	C₂₉H₃₀N₄O₄S	530.648
——	3-[4-[10-(Benzenesulfonyl)-4-(cyclopentylmethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1315495-17-0	C₂₈H₃₂N₆O₂S	516.667
——	3-[4-[10-(Benzenesulfonyl)-4-[2-(oxolan-2-yl)ethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-86-1	C₂₈H₃₂N₆O₃S	532.666
——	3-((1R,3R)-3-[6-benzenesulfonyl-2-((R)-1-hydroxyethyl)-6H-1,3,5,6-tetraaza-as-indacen-1-yl]-cyclopentyl)-propionitrile	1418200-50-6	C₂₄H₂₅N₅O₃S	463.56
——	((1S,3R)-3-[6-benzenesulfonyl-2-((R)-1-hydroxyethyl)-6H-1,3,5,6-tetraaza-as-indacen-1-yl]-cyclopentyl)-acetonitrile	1418200-51-7	C₂₃H₂₃N₅O₃S	449.533
——	tert-butyl {(3S)-1-[5-({[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]carbonyl}amino)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl}carbamate	1620011-23-5	C₃₃H₃₂F₂N₆O₅S₂	694.783
——	3-[4-[10-(Benzenesulfonyl)-4-[2-(1-methylpyrazol-3-yl)ethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-90-7	C₂₈H₃₀N₈O₂S	542.665
——	3-[4-[10-(Benzenesulfonyl)-4-(2-pyrazol-1-ylethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-89-4	C₂₇H₂₈N₈O₂S	528.638
——	1-(1-cyclohexyl-6-(phenylsulfonyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)ethanone	1440421-98-6	C₂₂H₂₂N₄O₃S	422.508
——	(1R,3S)-3-[6-benzenesulfonyl-2-((R)-1-hydroxyethyl)-6H-1,3,5,6-tetraaza-as-indacen-1-yl]-cyclopentanecarboxylic acid methyl ester	1418200-08-4	C₂₃H₂₄N₄O₅S	468.533
——	(1S,3R)-3-[6-benzenesulfonyl-2-((R)-1-hydroxyethyl)-6H-1,3,5,6-tetraaza-as-indacen-1-yl]-cyclopentanecarboxylic acid methyl ester	1418200-16-4	C₂₃H₂₄N₄O₅S	468.533
——	((1R,3S)-3-(6-benzenesulfonyl-2-[(R)-1-(tert-butyl-dimethyl-silanyloxy)-ethyl]-6H-1,3,5,6-tetraaza-as-indacen-1-yl)-cyclopentyl)-acetonitrile	1418200-11-9	C₂₉H₃₇N₅O₃SSi	563.796
——	3-[4-[10-(Benzenesulfonyl)-4-(oxan-4-ylmethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-87-2	C₂₈H₃₂N₆O₃S	532.666
——	4-[6-benzenesulfonyl-2-((R)-1-hydroxy-ethyl)-6H-1,3,5,6-tetraaza-as-indacen-1-yl]-piperidine-1-carboxylic acid tert-butyl ester	1315499-57-0	C₂₆H₃₁N₅O₅S	525.629
——	3-[4-[10-(Benzenesulfonyl)-4-(oxolan-2-ylmethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile	1415388-85-0	C₂₇H₃₀N₆O₃S	518.64
——	(1R)-1-[10-(benzenesulfonyl)-3-[(3R)-piperidin-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol	1315546-07-6	C₂₁H₂₃N₅O₃S	425.511
——	(1R)-1-[10-(benzenesulfonyl)-3-[(3S)-oxan-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol	1315497-12-1	C₂₁H₂₂N₄O₄S	426.496
——	(R)-tert-butyl 3-(2-((R)-1-hydroxyethyl)-6-(phenylsulfonyl)-imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidine-1-carboxylate	1315499-28-5	C₂₆H₃₁N₅O₅S	525.629
——	tert-butyl {(3S)-1-[5-({[5-[(tert-butoxycarbonyl)amino]-2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]carbonyl}amino)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl}carbamate	1620011-21-3	C₃₈H₄₁F₂N₇O₇S₂	809.915

反应信息

作为反应物：

描述：

1-(苯磺酰基)-4-氯-5-硝基吡咯并[2,3-b]吡啶在 20% palladium hydroxide on charcoal 、甲酸铵、铁粉、氯化铵、对甲苯磺酸、 N,N-二异丙基乙胺、 sodium hydroxide 作用下，以甲醇、乙醇、水、异丙醇、甲苯为溶剂，反应 30.67h，生成 1-(3R)-piperidin-3-yl-1,6-dihydro-imidazo[4,5-d]pyrrolo[2,3-b]pyridine

参考文献：

名称：

Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors

摘要：

A therapeutic rationale is proposed for the treatment of inflammatory diseases, such as rheumatoid arthritis (RA), by specific targeting of the JAK1 pathway. Examination of the preferred binding conformation of clinically effective, pan-JAK inhibitor I led to identification of a novel, tricyclic hinge binding scaffold 3. Exploration of SAP. through a series of cycloamino and cycloalkylamino analogues demonstrated this template to be highly tolerant of substitution, with a predisposition to moderate selectivity for the JAK1 isoform over JAK2. This study culminated in the identification of subnanomolar JAK1 inhibitors such as 22 and 49, having excellent cell potency, good rat pharmacokinetic characteristics, and excellent kinase selectivity. Determination of the binding modes of the series in JAK1 and JAK2 by X-ray crystallography supported the design of analogues to enhance affinity and selectivity.

DOI：

10.1021/jm300438j
作为产物：

描述：

4-氯-7-氮杂吲哚在 4-二甲氨基吡啶、四甲基硝酸铵、三乙胺、三氟乙酸酐作用下，以二氯甲烷为溶剂，反应 5.0h，生成 1-(苯磺酰基)-4-氯-5-硝基吡咯并[2,3-b]吡啶

参考文献：

名称：

发现咪唑并吡咯并吡啶衍生物作为 JAK2 的新型选择性抑制剂

摘要：

在此，我们描述了一系列选择性抑制 Janus 激酶 2 (JAK2) 的咪唑并吡咯并吡啶衍生物的设计、合成和结构-活性关系。这些筛选级联显示，6k是优选的化合物，JAK2 的IC 50值为 10 nM。此外，6k是一种选择性 JAK2 抑制剂，其选择性分别是 JAK1、JAK3 和 TYK2 的 19 倍、> 30 倍和> 30 倍。在细胞因子刺激的基于细胞的测定中，6k表现出比 JAK1 同种型更高的 JAK2 选择性。实际上，在20mg/kg化合物6k的剂量下，pSTAT3和pSTAT5表达降低至与未用GM-CSF处理的对照动物的水平相当的水平。此外，6k显示出相对较好的生物利用度（F = 38%）、合适的半衰期（T 1/2 = 1.9 h）、令人满意的代谢稳定性，表明6k可能是一种很有前途的 JAK2 抑制剂，可用于治疗的进一步开发研究MPN。

DOI：

10.1016/j.ejmech.2021.113394

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文献信息

[EN] IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES [FR] IMIDAZOPYRROLOPYRIDINE EN TANT QU'INHIBITEURS DE LA FAMILLE JAK DE KINASES

申请人：JANSSEN PHARMACEUTICA NV

公开号：WO2018112382A1

公开（公告）日：2018-06-21

2-((1r,4r)-4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile compounds, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions mediated by JAK, such as inflammatory bowel disease.

2-((1r,4r)-4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile化合物，含有它们的药物组合物，制备它们的方法，以及使用它们的方法，包括用于治疗由JAK介导的疾病状态、紊乱和疾病，如炎症性肠病的方法。
[EN] TRICYCLIC HETEROCYLIC DERIVATIVES [FR] DÉRIVÉS HÉTÉROCYCLIQUES TRICYCLIQUES

申请人：MERCK PATENT GMBH

公开号：WO2017202748A1

公开（公告）日：2017-11-30

Compounds of the formula (I) in which R1 and R2 have the meanings indicated in Claim 1,are inhibitors of ATR, and can be employed for the treatment of diseases such as cancer.

式(I)中R1和R2具有权利要求书中指示的含义，是ATR的抑制剂，可用于治疗癌症等疾病。
말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체 및 이의 용도

申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

公开号：KR20200076655A

公开（公告）日：2020-06-29

본 발명은 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체(hydrazone derivatives) 및 이의 용도에 관한 것이다.

这项发明涉及末端氨基被芳基或杂芳基取代的新的腙衍生物(hydrazone derivatives)及其用途。
Discovery of 3-Cyano-N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist

作者：Mark E. Schnute、Mattias Wennerstål、Jennifer Alley、Martin Bengtsson、James R. Blinn、Charles W. Bolten、Timothy Braden、Tomas Bonn、Bo Carlsson、Nicole Caspers、Ming Chen、Chulho Choi、Leon P. Collis、Kimberly Crouse、Mathias Färnegårdh、Kimberly F. Fennell、Susan Fish、Andrew C. Flick、Annika Goos-Nilsson、Hjalmar Gullberg、Peter K. Harris、Steven E. Heasley、Martin Hegen、Alexander E. Hromockyj、Xiao Hu、Bolette Husman、Tomasz Janosik、Peter Jones、Neelu Kaila、Elisabet Kallin、Björn Kauppi、James R. Kiefer、John Knafels、Konrad Koehler、Lars Kruger、Ravi G. Kurumbail、Robert E. Kyne、Wei Li、Joakim Löfstedt、Scott A. Long、Carol A. Menard、Scot Mente、Dean Messing、Marvin J. Meyers、Lee Napierata、Daniel Nöteberg、Philippe Nuhant、Matthew J. Pelc、Michael J. Prinsen、Patrik Rhönnstad、Eva Backström-Rydin、Johnny Sandberg、Maria Sandström、Falgun Shah、Maria Sjöberg、Aron Sundell、Alexandria P. Taylor、Atli Thorarensen、John I. Trujillo、John D. Trzupek、Ray Unwalla、Felix F. Vajdos、Robin A. Weinberg、David C. Wood、Li Xing、Edouard Zamaratski、Christoph W. Zapf、Yajuan Zhao、Anna Wilhelmsson、Gabriel Berstein

DOI：10.1021/acs.jmedchem.8b00392

日期：2018.12.13

The nuclear hormone receptor retinoic acid receptor-related orphan C2 (RORC2, also known as RORγt) is a promising target for the treatment of autoimmune diseases. A small molecule, inverse agonist of the receptor is anticipated to reduce production of IL-17, a key proinflammatory cytokine. Through a high-throughput screening approach, we identified a molecule displaying promising binding affinity for

核激素受体视黄酸受体相关的孤儿C2（RORC2，也称为RORγt）是治疗自身免疫性疾病的有希望的靶标。预期该受体的小分子反向激动剂会减少关键的促炎细胞因子IL-17的产生。通过高通量筛选方法，我们鉴定了一种分子，该分子显示出对RORC2的有希望的结合亲和力，抑制Th17细胞中IL-17的产生以及对相关RORA和RORB受体同工型的选择性。铅优化以提高这种命中的效力和代谢稳定性为重点，主要集中在两个关键设计策略上，即，通过提高亲脂性效率和结构指导的构象限制驱动的迭代优化，以实现最佳的基态能量学和最大化受体停留时间。N-（3-（1-异丁酰基哌啶-4-基）-1-甲基-4-（三氟甲基）-1 H-吡咯并[2,3 - b ]吡啶-5-基）苯甲酰胺为强效且选择性的RORC2逆激动剂，在临床前体内动物模型中，口服给药后表现出良好的代谢稳定性，口服生物利用度以及降低IL-17水平和皮肤炎症的能力。
THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS

申请人：Incyte Corporation

公开号：US20140200227A1

公开（公告）日：2014-07-17

The present disclosure describes thiazole and pyridine carboxamide derivatives, their compositions and methods of use. The compounds inhibit the activity of the Pim kinases and are useful in the treatment of diseases related to the activity of Pim kinases including, e.g., cancer and other diseases.

本公开描述了噻唑和吡啶羧酰胺衍生物，它们的组成以及使用方法。这些化合物抑制Pim激酶的活性，并且在治疗与Pim激酶活性相关的疾病方面具有用途，例如癌症和其他疾病。