Name: Delcasertib
Rating: 5 (10 reviews)

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HIT ID:HIT212659608
Cas No:949100-39-4
常用名:Delcasertib
别名:KAI-9803, BMS-875944
IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-{[(2R)-2-amino-2-{[(1S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]disulfanyl}propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-4-methylpentanamido]acetamido}-3-hydroxypropanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-{[(2R)-2-amino-2-{[(1S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]disulfanyl}propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-4-methylpentanamido]acetamido}-3-hydroxypropanamido]-4-methylpentanoic acid
InChI key:XPXZTVWPRKJTAA-PJKOMPQUSA-N

分子式:C120H199N45O34S2
分子量:2880.31
氢键供体数 (HBD):53
氢键受体数 (HBA):56
LogP:-22.58831
SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O

Delcasertib (KAI-9803) 是一种有效且选择性的 δ-蛋白激酶 C (δPKC) 抑制剂，可改善急性心肌梗死动物模型的缺血再灌注损伤。

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
1-3天
纯度
99.96%
¥ 2,150.00
1

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