Name: RUNX-IN-1
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218851399
Cas No:2177285-35-5
常用名:RUNX-IN-1
IUPAC:4-[3-(4-{4-[bis(2-chloroethyl)amino]phenyl}butanamido)propanamido]-N-{5-[(2-{[2-({3-[(5-{[5-({5-[(5-{[3-(dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]propyl}carbamoyl)-1-methyl-1H-imidazol-4-yl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-1-methyl-1H-imidazole-2-carboxamide
IUPAC:4-[3-(4-{4-[bis(2-chloroethyl)amino]phenyl}butanamido)propanamido]-N-{5-[(2-{[2-({3-[(5-{[5-({5-[(5-{[3-(dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]propyl}carbamoyl)-1-methyl-1H-imidazol-4-yl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-1-methyl-1H-imidazole-2-carboxamide
InChI key:KEMUNUGWVPYFER-UHFFFAOYSA-N

分子式:C71H88Cl2N24O11
分子量:1524.54
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5nc(NC(=O)c6nc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)CCCc9ccc(cc9)N(CCCl)CCCl)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C
SMILES:CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5nc(NC(=O)c6nc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)CCCc9ccc(cc9)N(CCCl)CCCl)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C

RUNX-IN-1 Compound Conjugate 1) 具有与RUNX结合序列共价结合的特性，能有效抑制RUNX蛋白与其靶位点的相互作用。该化合物能激活p53依赖的细胞凋亡(apoptosis)过程，并能够抑制细胞增殖。此外，RUNX-IN-1在PANC-1异种移植小鼠模型中显示出对肿瘤生长的抑制作用。

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