Name: SAH-EZH2
Rating: 5 (10 reviews)

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HIT ID:HIT218852075
Cas No:1453222-26-8
常用名:SAH-EZH2
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(2S)-4-carbamoyl-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S,5S,8S,11S,20S)-2-(4-aminobutyl)-5-[(2S)-butan-2-yl]-20-[(2S)-5-carbamimidamido-2-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-phenylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]propanamido]pentanamido]-11,20-dimethyl-8-(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-en-11-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(2S)-4-carbamoyl-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S,5S,8S,11S,20S)-2-(4-aminobutyl)-5-[(2S)-butan-2-yl]-20-[(2S)-5-carbamimidamido-2-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-phenylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]propanamido]pentanamido]-11,20-dimethyl-8-(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-en-11-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]butanoic acid
InChI key:SYHNQEAAZWGLKW-NNUNXKMRSA-N

分子式:C155H256N48O40
分子量:3432.049
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@](C)(CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)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]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@](C)(CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)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]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC

EZH2/EPP interaction inhibitor (Kd = 320 nM). Suppresses EZH2 expression and H3K27 trimethylation by PCR2 complex. Arrests proliferation and induces monocyte to macrophage differentiation of MLL-AF9 leukemia cell line.

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
纯度
-
¥ 13,473.00
1

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