Name: LD4172
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219250856
Cas No:2782022-40-4
常用名:LD4172
IUPAC:N-{3-[4-amino-5-(1-{2-[3-(trifluoromethoxy)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]propyl}-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]dodecanediamide
IUPAC:N-{3-[4-amino-5-(1-{2-[3-(trifluoromethoxy)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]propyl}-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]dodecanediamide
InChI key:RMSGROMYBXPAFX-XVYCCKKLSA-N

分子式:C61H75F3N10O7S
分子量:1149.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12)C(C)(C)C)c1ccc(cc1)-c1scnc1C

LD4172 是一种PROTAC降解剂，能够降解RIP激酶 (RIPK1)，其DC50为纳摩尔水平。与TNF-α联合使用时，LD4172 能够诱导B16F10细胞发生凋亡 (apoptosis)。在小鼠模型中，LD4172 显示出显著的抗肿瘤活性。(Pink: ligand for target protein; Black: linker; Blue: ligand for E3ligaseVHL)

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