Foselutoclax
基本情報
- CAS
2271269-01-1- 標準SMILES
Cc1c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(OP(=O)(O)O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C(C)C- InChIKey
FSZILRQCEAUYPL-VQJSHJPSSA-N- 分子式
- C53H59ClF3N6O10PS3
- 平均分子量
- 1,159.7 g/mol
- 単同位体質量
- 1,158.2833048
概要
Foselutoclax is a small molecule drug. The usage of the INN stem '-toclax' in the name indicates that Foselutoclax is a B-cell lymphoma 2 (Bcl-2) inhibitor. Foselutoclax is under investigation in clinical trial NCT06011798 (Assess the Efficacy and Safety of Repeat Intravitreal Injections of Foselutoclax (UBX1325) in Patients With DME (ASPIRE)). Foselutoclax has a monoisotopic molecular weight of 1158.28 Da.
名称と識別子
- 優先名称
- Foselutoclax
- IUPAC
- 5-(4-chlorophenyl)-2-methyl-4-[3-[4-[4-[[4-[[(2R)-1-phenylsulfanyl-4-(4-phosphonooxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-1-propan-2-ylpyrrole-3-carboxylic acid
- 英語名
- 1H-Pyrrole-3-carboxylic acid, 5-(4-chlorophenyl)-2-methyl-1-(1-methylethyl)-4-[3-[4-[4-[[[4-[[(1R)-1-[(phenylthio)methyl]-3-[4-(phosphonooxy)-1-piperidinyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]amino]phenyl]-1-piperazinyl]phenyl]-
- 分子式
- C53H59ClF3N6O10PS3
- 分子量
- 1159.69
名称と別名
Foselutoclax2271269-01-1VT53CL5GESRefChem:1085551UBX1325(R)-5-(4-Chlorophenyl)-1-isopropyl-2-methyl-4-(3-(4-(4-((4-((1-(phenylthio)-4-(4-(phosphonooxy)piperidin-1-yl)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonamido)phenyl)piperazin-1-yl)phenyl)-1H-pyrrole-3-carboxylic acid5-(4-chlorophenyl)-2-methyl-4-[3-[4-[4-[[4-[[(2R)-1-phenylsulfanyl-4-(4-phosphonooxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-1-propan-2-ylpyrrole-3-carboxylic acidfoselutoclax [INN]orb1982544CHEMBL6068011SCHEMBL22236914GTPL13366
名称をさらに表示
1H-Pyrrole-3-carboxylic acid, 5-(4-chlorophenyl)-2-methyl-1-(1-methylethyl)-4-[3-[4-[4-[[[4-[[(1R)-1-[(phenylthio)methyl]-3-[4-(phosphonooxy)-1-piperidinyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]amino]phenyl]-1-piperazinyl]phenyl]-
EX-A7117UBX-1325DA-78743HY-150069CS-0572519T748671H-PYRROLE-3-CARBOXYLIC ACID, 5-(4-CHLOROPHENYL)-2-METHYL-1-(1-METHYLETHYL)-4-(3-(4-(4-(((4-(((1R)-1-((PHENYLTHIO)METHYL)-3-(4-(PHOSPHONOOXY)-1-PIPERIDINYL)PROPYL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)AMINO)PHENYL)-1-PIPERAZINYL)PHENYL)-5-(4-Chlorophenyl)-2-methyl-1-(1-methylethyl)-4-[3-[4-[4-[[[4-[[(1R)-1-[(phenylthio)methyl]-3-[4-(phosphonooxy)-1-piperidinyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]amino]phenyl]-1-piperazinyl]phenyl]-1H-pyrrole-3-carboxylic acid
物性
構造計算による物性
- XLogP
- 7.6
- 極性表面積
- 253 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 19
- 回転可能結合数
- 20
- 重原子数
- 77
- 形式電荷
- 0
- 複雑度
- 2,160
物理化学的性質
- 沸点
- 1145 · 1145.0±75.0 °C(Predicted)
- 比重(密度)
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.79 · 1.79±0.10(Predicted)
- 外見
- Solid
- 色
- White to light yellow
関連反応
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現在のフィルター条件では反応記録がありません。
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