2-Methyl-2-propanyl 4-{6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-piperazinecarboxylate（CAS号：571188-82-4）

帕布昔利布杂质23

基本信息

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CAS号

571188-82-4

分子式

C27H34BrN7O3

分子量

584.52 g/mol

EINECS号

1592732-453-0

基本物理性质

物理状态

No data avaiable

熔点

>250℃

沸点

720.0±70.0 °C(Predicted)

密度

1.439±0.06 g/cm3(Predicted)

闪点

389.3±35.7 °C

溶解度

Insuluble (1.2E-3 g/L) (25 ºC),

蒸气压

No data available

SMILES

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O=C(N1CCN(C2=CC=C(NC3=NC=C(C(C)=C(Br)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)OC(C)(C)C

InChI

InChI=1S/C27H34BrN7O3/c1-17-20-16-30-25(32-23(20)35(24(36)22(17)28)18-7-5-6-8-18)31-21-10-9-19(15-29-21)33-11-13-34(14-12-33)26(37)38-27(2,3)4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,29,30,31,32)

InChIKey

UTSOLZWQDXJQRH-UHFFFAOYSA-N

LogP

5.173220000000005

pKa

5.24±0.10(Predicted)

拓扑极性表面积

105.48 Å²

氢键供体/受体

1 / 10

复杂度

911

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

4-[6-(6-BROMO-8-CYCLOPENTYL-5-METHYL-7-OXO-7,8-DIHYDRO-PYRIDO[2,3-D]PYRIMIDIN-2-YLAMINO)-PYRIDIN-3-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 4-(6-((6-broMo-8-cyclopentyl-5-Methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyriMidin-2-yl)aMino)pyridin-3-yl)piperazine-1-carboxylate
1-Piperazinecarboxylic acid, 4-[6-[(6-broMo-8-cyclopentyl-7,8-dihydro-5-Methyl-7-oxopyrido[2,3-d]pyriMidin-2-yl)aMino]-3-pyridinyl]-, 1,1-diMethylethyl ester
4-[6-[(6-Bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
4- [6- (6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido [2,3-d] pyrimidin -2- ylamino) - pyridine 3-yl] - piperazine-1- carboxylic acid tert-butyl ester
tert-butyl 4-{6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl}piperazine-1-carboxylat
tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate
tert-Butyl 4-(6-((6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)
1-Piperazinecarboxylic acid, 4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]py rimidin-2-yl)amino]-3-pyridinyl]-, 1,1-dimethylethyl ester
tert-Butyl 4-(6-((6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
1-PIPERAZINECARBOXYLIC ACID, 4-[6-[(6-BROMO-8-CYCLOPENTYL-7,8-DIHYDRO-5-METHYL-7-OXOPYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]-...
1-Piperazinecarboxylic acid, 4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]py rimidin-2-yl)amino]-3-pyr
1-Piperazinecarboxylic acid,4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-, 1,1-dimethylethyl ester
LogP
tert-buty<wbr>
1-Piperazinecarboxylic acid, 4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-, 1,1-dimethylethyl ester
AK474229
4-[6-[(6-Bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-
CID 11157536
tert-butyl 4-(6-((6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate

中文

4-[6-[(6-溴-8-环戊基-7,8-二氢-5-甲基-7-氧代吡啶并[2,3-D]嘧啶-2-基)氨基]-3-吡啶基]-1-哌嗪羧酸叔丁酯
4-[6-[(6-溴-8-环戊基-7,8-二氢-5-甲基-7-氧代吡啶并[2,3-D]嘧啶-2-基)氨基]-3-吡啶
帕布昔利布中间体1
4-[6-[(6-溴-8-环戊基-7,8-二氢-5-甲基-7-氧代吡啶并[2,3-D]嘧啶-2-基)氨基]-3-吡啶基]-1-哌嗪羧酸叔丁酯哌泊塞克雷布中间体 1KG
4-[6-(6-溴-8-环戊基-5-甲基-7-氧代-7,8-二氢吡啶并[2,3-D]嘧啶- 2-基氨基)-吡啶-3-基]-哌嗪-1-羧酸叔丁酯
帕布昔利布中间体6
(3E)-1-(2-氯乙酰基)-2,3-二氢-3-(甲氧基苯基亚甲基)-2-氧代-1H-吲哚-6-羧酸甲酯
帕布昔利布中间体一
4-[6-[(6-溴-8-环戊基-7,8-二氢-5-甲基-7-氧代吡啶并[2,3-d]嘧啶 -2-基)氨基]-3-吡啶基]-1-哌嗪羧酸叔丁酯
4-6-(6-溴-8-环戊基-7,8-二氢-5-甲基-7-氧代吡啶并2,3-D嘧啶-2-基)氨基-3-吡啶基-1-哌嗪羧酸叔丁酯

MDL号

MFCD09834002

EC号

1592732-453-0

常见问题

什么是帕布昔利布杂质23(CAS号：571188-82-4)？

帕布昔利布杂质23是化学名称为2-Methyl-2-propanyl 4-{6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-piperazinecarboxylate的一种杂质，是帕布昔利布生产过程中的副产品。