氨基磺酸 [(1S,2S,4R)-4-[4-[[(1S)-2,3-二氢-1H-茚-1-基]氨基]-7H-吡咯并[2,3-d]嘧啶-7-基]-2-羟基环戊基]甲基酯

CAS号
905579-51-3 ;1160295-21-5
CCD编号
CCD03477739
分子式
C21 H25 N5 O4 S
分子量
443.526

基本信息

产品名称: 氨基磺酸 [(1S,2S,4R)-4-[4-[[(1S)-2,3-二氢-1H-茚-1-基]氨基]-7H-吡咯并[2,3-d]嘧啶-7-基]-2-羟基环戊基]甲基酯
CAS: 905579-51-3 ;1160295-21-5
中文同义词: 氨基磺酸 [(1S,2S,4R)-4-[4-[[(1S)-2,3-二氢-1H-茚-1-基]氨基]-7H-吡咯并[2,3-d]嘧啶-7-基]-2-羟基环戊基]甲基酯 ; 氨基磺酸 [(1S,2S,4R)-4-[4-[[(1S)-2,3-二氢-1H-茚-1-基]氨基]-7H-吡咯并[2,3-d]嘧啶-7-基]-2-羟基环戊基]甲基酯盐酸盐
英文同义词: MLN4924 ; ((1S,2S,4R)-4-(4-(((S)-2,3-DIHYDRO-1H-INDEN-1-YL)AMINO)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE ; MLN-4924 HCL ; MLN-4924 HYDROCHLORIDE ; MLN4924 (HYDROCHLORIDE) ; [(1S,2S,4R)-4-[4-[[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]-2-HYDROXYCYCLOPENTYL]METHYL ESTER SULFAMIC ACID
MDL号: MFCD17215201
氢键受体数量: 9
氢键供体数量: 3
Smile: c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N
InChi: InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
InChiKey: InChIKey=MPUQHZXIXSTTDU-QXGSTGNESA-N

性质

安全信息

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