3-methoxycarbonyl-2-methylduocarmycin A | 153925-97-4
中文名称
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中文别名
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英文名称
3-methoxycarbonyl-2-methylduocarmycin A
英文别名
DU-86；1,2,4,5,8,8a-hexahydro-6-methyl-4-oxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-cyclopropa(c)pyrrolo(3,2-e)indole-7-carboxylic acid methyl ester；methyl (1R,12S)-4-methyl-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate
CAS
153925-97-4
化学式
C26H25N3O7
mdl
——
分子量
491.5
InChiKey
YTGSKSUJQQNWRS-SRGMZFCMSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：815.5±65.0 °C(Predicted)
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密度：1.50±0.1 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：2.7
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重原子数：36
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可旋转键数：6
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环数：6.0
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sp3杂化的碳原子比例：0.35
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拓扑面积：123
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氢给体数：2
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氢受体数：7
SDS
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 8-O-tert-butyldimethylsilyl-3α-hydroxyduocarmycin B2 129953-17-9 C32H42BrN3O8Si 704.69 —— 8-O-tert-butyldimethylsilylduocarmycin B2 129953-15-7 C32H40BrN3O8Si 702.674 —— 8-O-tert-butyldimethylsilyl-3-methoxycarbonyl-2-methylduocarmycin B2 177958-19-9 C32H40BrN3O7Si 686.675 (2R,8S)-8-(溴甲基)-4-羟基-2-甲基-1-氧代-6-(5,6,7-三甲氧基1h-吲哚-2-羰基)-7,8-二氢-3H-吡咯并[3,2-e]吲哚-2-羧酸甲酯 duocarmycin B2 124325-94-6 C26H26BrN3O8 588.412 —— methyl (8S)-8-(chloromethyl)-4-hydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate 205652-13-7 C26H26ClN3O7 527.961 —— 6-O-tert-butyl 1-O-methyl (8S)-8-(chloromethyl)-2-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1,6-dicarboxylate 156295-33-9 C26H29ClN2O5 484.98 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 3-methoxycarbonyl-1,2-dimethylduocarmycin A 182360-51-6 C27H27N3O7 505.527 —— 3-methoxycarbonyl-1,1',2-trimethylduocarmycin A —— C28H29N3O7 519.554 —— β-(5',6',7'-trimethoxy-2'-indolyl)acryloyl 2-methyl-3-formyl-A-ring pyrrole duocarmycin —— C27H25N3O6 487.512 —— methyl (1R,12S)-10-[(E)-3-[3-(3-azidopropoxy)-4-methoxyphenyl]prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 186760-14-5 C27H27N5O6 517.541 —— methyl (1R,12S)-10-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 153925-99-6 C24H22N2O5 418.449 —— methyl (1R,12S)-10-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 186760-18-9 C24H23N3O5 433.464 —— methyl (1R,12S)-10-[(E)-3-(2-methoxypyrimidin-5-yl)prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 221549-90-2 C22H20N4O5 420.425 —— methyl (1R,12S)-10-[(E)-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 186760-15-6 C30H32N2O8 548.593 —— β-(5',6',7'-trimethoxy-2'-indolyl)acryloyl 2-methyl-3-bromo-A-ring pyrrole duocarmycin —— C26H24BrN3O5 538.398 —— methyl (1R,12S)-10-[(E)-3-[3-(dimethylamino)-4-methoxyphenyl]prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 186760-17-8 C26H27N3O5 461.517 —— methyl (1R,12S)-10-[(E)-3-[3-(diethylamino)-4-methoxyphenyl]prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 186760-16-7 C28H31N3O5 489.571 —— methyl (1R,12S)-10-[(E)-3-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate 186760-23-6 C29H31N3O7 533.581 —— CPI 186760-22-5 C14H14N2O3 258.277 —— 3-methoxycarbonyl-2-methyl-8-O-piperidinylcarbonylduocarmycin B2 —— C32H35BrN4O8 683.556 —— 3-methoxycarbonyl-2-methyl-8-O-pyrrolidinylcarbonylduocarmycin B2 —— C31H33BrN4O8 669.529 —— methyl (1S)-1-(bromomethyl)-7-methyl-5-[(4-methylpiperazinyl)carbonyloxy]-3-[(5,6,7-trimethoxy-2-indolyl)-carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-8-carboxylate 154889-68-6 C32H36BrN5O8 698.571 —— 3-methoxycarbonyl-2-methyl-8-O-N,N-dimethylcarbamoylduocarmycin B2 177958-20-2 C29H31BrN4O8 643.491 —— methyl (8S)-8-(bromomethyl)-4-(dimethylcarbamoyloxy)-6-[(E)-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]prop-2-enoyl]-2-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate 1026848-67-8 C33H38BrN3O9 700.583 —— methyl (8S)-8-(bromomethyl)-6-[(E)-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]prop-2-enoyl]-2-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate 1026089-45-1 C37H36BrN3O12 794.61 —— methyl (8S)-8-(bromomethyl)-6-[(E)-3-[3-(diethylamino)-4-methoxyphenyl]prop-2-enoyl]-2-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate 1027080-47-2 C35H35BrN4O9 735.588 —— methyl (8S)-6-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-8-(bromomethyl)-2-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate 1026702-43-1 C31H27BrN4O9 679.481 —— methyl (8S)-8-(bromomethyl)-4-hydroxy-6-[(E)-3-[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]prop-2-enoyl]-2-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate 1026035-80-2 C30H33BrN2O8 629.505 —— methyl (8S)-8-(bromomethyl)-6-[(E)-3-[3-(diethylamino)-4-methoxyphenyl]prop-2-enoyl]-4-hydroxy-2-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate 1027243-49-7