Name: Cryptophycin analog 1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847750
Cas No:1260431-28-4
常用名:Cryptophycin analog 1
IUPAC:(3S,10R,13E,16R)-16-[(1S)-1-[(2R,3R)-3-[4-(aminomethyl)phenyl]oxiran-2-yl]ethyl]-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
IUPAC:(3S,10R,13E,16R)-16-[(1S)-1-[(2R,3R)-3-[4-(aminomethyl)phenyl]oxiran-2-yl]ethyl]-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
InChI key:VGYCIPORVJQZDT-YXCXXXRFSA-N

分子式:C37H48ClN3O8
分子量:698.25
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(O[C@@H]1c1ccc(CN)cc1)[C@@H](C)[C@]1([H])C\C=C\C(=O)N[C@H](Cc2ccc(OC)c(Cl)c2)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O1
SMILES:[H][C@@]1(O[C@@H]1c1ccc(CN)cc1)[C@@H](C)[C@]1([H])C\C=C\C(=O)N[C@H](Cc2ccc(OC)c(Cl)c2)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O1

Cryptophycin analog 1, an ADC payload, exhibits anticancer activity and demonstrates cellular potency an order of magnitude greater than the approved ADC payloads MMAE and DM1 [1].

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