Name: DT-6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851445
Cas No:2414315-95-8
常用名:DT-6
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-[(2S,3R)-2-[6-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-methylpentanamido]propanoic acid
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-[(2S,3R)-2-[6-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-methylpentanamido]propanoic acid
InChI key:KTYZOCAUGNWALG-WWSKSYBYSA-N

分子式:C89H130N20O29S2
分子量:2008.25
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O

DT-6为一有效TGF-β1抑制剂，能够抑制M2巨噬细胞诱导的上皮至间质转化(Epithelial-Mesenchymal Transition, EMT)及癌细胞侵袭性迁移，可用于癌症相关疾病研究。

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