(S)-5-[3-(5-methoxymethyl-1,3,4-oxadiazol-2-yl)phenyl]-9-methylthio-1,2,3,3a,4,5-hexahydro-5,8,10,10b-tetraazabenzo[e]azulen-6-one | 1092113-69-3

分子结构分类

有机化合物 - 有机杂环化合物 - 嘧啶二氮卓类

中文名称

——

中文别名

——

英文名称

(S)-5-[3-(5-methoxymethyl-1,3,4-oxadiazol-2-yl)phenyl]-9-methylthio-1,2,3,3a,4,5-hexahydro-5,8,10,10b-tetraazabenzo[e]azulen-6-one

英文别名

5-[3-(5-methoxymethyl-1,3,4-oxadiazol-2-yl)phenyl]-9-methylthio-1,2,3,3a,4,5-hexahydro-5,8,10,10b-tetraazabenzo[e]azulen-6-one；(6S)-8-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-13-methylsulfanyl-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one

(S)-5-[3-(5-methoxymethyl-1,3,4-oxadiazol-2-yl)phenyl]-9-methylthio-1,2,3,3a,4,5-hexahydro-5,8,10,10b-tetraazabenzo[e]azulen-6-one化学式

CAS

1092113-69-3

化学式

C₂₁H₂₂N₆O₃S

mdl

——

分子量

438.51

InChiKey

KFBDFODDXQEEEH-HNNXBMFYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

2
重原子数：

31
可旋转键数：

5
环数：

5.0
sp3杂化的碳原子比例：

0.38
拓扑面积：

123
氢给体数：

0
氢受体数：

9

文献信息

PYRIMIDODIAZEPINONE DERIVATIVE

申请人：Kyowa Hakko Kirin Co., Ltd.

公开号：EP2163554B1

公开（公告）日：2012-08-01
US7998954B2

申请人：——

公开号：US7998954B2

公开（公告）日：2011-08-16

同类化合物

阿斯普尼辛B 阿斯普尼辛 D 阿斯普尼辛苯佐莫文新骏河毒素乙酰胺,N-(4-硝基-2-吡啶基)-,氧化(9CI) TAK960抑制剂 PLK1抑制剂(RO3280) 8H-嘧啶并[4,5-b][1,4]二氮杂卓 8-甲基-5,9-二氢-6H-嘧啶并[4,5-b][1,4]重氮基庚英-6-酮 6H-嘧啶并[4,5-b][1,4]二氮杂卓 4-甲基-6,11-二氢-3H-嘧啶并[4,5-b][1,5]苯并二氮杂卓-2,5-二酮 2-氯-7,7-二氟-5-甲基-5,7,8,9-四氢-6H-嘧啶基[4,5-B][1,4]二氮杂-6-酮 2-氯-5-甲基-5,7,8,9-四氢-6H-嘧啶[4,5-B][1,4]二氮杂6-酮 1H-嘧啶并[4,5-b][1,4]二氮杂卓 5-(2-piperidin-1-yl-ethyl)-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one 4-oxo-2-pyridin-4-yl-5,6,8,9-tetrahydro-4H-1,4a,7-triaza-benzocycloheptene-7-carboxylic acid ethyl ester 7-chloro-5-phenyl-1-propyl-1,3-dihydro-pyrido[3,2-e][1,4]diazepin-2-one 6-methoxy-8-methyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)pteridin-7(8H)-one 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-((1S,2R)-2-hydroxycyclohexyl)-3-methoxybenzamide 8-chloro-1,2,3,4-tetrahydro-pyrazino[2,1-b]quinazolin-6-one hydrochloride salt of 3-(2-chlorophenyl)-7-[(1-hydroxymethylcyclohexyl)amino]-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1 H)-one {2-[4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido-[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoylamino]-ethyl}-carbamic acid tert-butyl ester (7R)-8-cyclohexyl-2-[(4-fluoro-1H-indazol-5-yl)amino]-5-(3-fluorophenyl)-7-methyl-7,8-dihydropteridin-6(5H)-one 7-ethoxy-8-ethyl-9-methyl-1(3),7-dihydro-[1,3]diazepino[2,1-i]purin-10-one 3-(((1H-indol-3-yl)methylene)amino)-3,4-dihydroquinazolin-2(1H)-one 3-[[(7R)-7-benzyl-2,5,8,11,14-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-8-yl]sulfonyl]benzoic acid 5-(hydroxyamino)-11H-pyrimido[4,5-b][1,5]benzodiazepine 3-ethyl-7-(3-piperidin-1-yl-propyl)-7,12-dihydro-3H-benzo[b]pyrazolo[4',3':5,6]pyrido[4,3-e][1,4]diazepin-6-one (7R)-7-benzyl-8-[2-(trifluoromethoxy)phenyl]sulfonyl-2,5,8,12,14-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene 3-(9-ethylamino-6-oxo-2,3,3a,4-tetrahydro-1H,6H-5,8,10,10b-tetraazabenzo[e]azulen-5-yl)benzoic acid-N'-acetyl hydrazide 7-chloro-2-oxo-5-phenyl-2,3-dihydro-pyrido[3,2-e][1,4]diazepine-1-carboxylic acid allylamide 6-(4-bromobenzylidene)-6,11-dihydro-13H-isoquinolino[3,2-b]quinazolin-13-one (+/-)-9-methylamino-4-oxo-2-pyridin-4-yl-5,6,8,9-tetrahydro-4H-1,4a,7-triaza-benzocycloheptene-7-carboxylic acid ethyl ester 5-benzyl-2-(1H-indol-4-yl)-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6(5H)-one 4-{[7-(cyclopropylmethoxy)-5-methyl-6-oxo-8-(3-thienyl)-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl]amino}-3-methyl-N-(1-methylpiperidin-4-yl)benzamide 6-(4-chlorobenzylidene)-6,11-dihydro-13H-isoquinolino[3,2-b]quinazolin-13-one 6-benzylidene-6,11-dihydro-13H-isoquinolino[3,2-b]quinazolin-13-one 6-(4-methoxybenzylidene)-6,11-dihydro-13H-isoquinolino[3,2-b]quinazolin-13-one 6-{[(4-dimethylamino)phenyl]methylidene}-6,11-dihydro-13H-isoquino[3,2-b]quinazolin-13-one 1H-spiro[pyrimido[4,5-b]quinoline-5,5'-pyrrolo[2,3-d]pyrimidine]-2,2',4,4',6'(1'H,3H,3'H,7'H,10H)-pentaone tert-butyl 3-(4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-2-fluoro-5-methoxybenzamido) azetidine-1-carboxylate 4-deoxy-4-amino-7,10-methano-5-deazapteroic acid (S)-N,N-dimethyl 2-[3-(9-ethylamino-6-oxo-2,3,3a,4-tetrahydro-1H,6H-5,8,10,10b-tetraazabenzo[e]azulen-5-yl)phenyl]-1,3-oxazole-4-carboxamide diethyl (4-{[4-{[7-(hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate 3-[2-(3-methyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-quinazolin-4-yl]-4-(6H-thieno[2,3-b]pyrrol-4-yl)-pyrrole-2,5-dione 4-((R)-9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-((R)-piperidin-3-yl)benzamide (S)-N,N-dimethyl 5-[3-(9-methylamino-6-oxo-2,3,3a,4-tetrahydro-1H,6H-5,8,10,10b-tetraazabenzo[e]azulenyl)phenyl]-1,3,4-oxadiazole-2-carboxamide 4-[(6-cyclopentyl-2,5-dimethyl-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide

(S)-5-[3-(5-methoxymethyl-1,3,4-oxadiazol-2-yl)phenyl]-9-methylthio-1,2,3,3a,4,5-hexahydro-5,8,10,10b-tetraazabenzo[e]azulen-6-one | 1092113-69-3

分子结构分类

计算性质

文献信息

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