Name: SGD-1910
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212669019
Cas No:1342820-51-2
常用名:SGD-1910
别名:MC-Val-Ala-PBD
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(1S)-1-{[(1S)-1-({4-[(7S)-13-methoxy-12-(3-{[(7S)-13-methoxy-5-(4-methoxyphenyl)-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,8,11,13-pentaen-12-yl]oxy}propoxy)-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-5-yl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]hexanamide
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(1S)-1-{[(1S)-1-({4-[(7S)-13-methoxy-12-(3-{[(7S)-13-methoxy-5-(4-methoxyphenyl)-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,8,11,13-pentaen-12-yl]oxy}propoxy)-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-5-yl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]hexanamide
InChI key:TWQIMWSQDICMSE-DGCIIGOYSA-N

分子式:C60H64N8O12
分子量:1089.216
氢键供体数 (HBD):3
氢键受体数 (HBA):14
LogP:4.7056584
SMILES:[H][C@@]12CC(=CN1C(=O)c1cc(OC)c(OCCCOc3cc4N=C[C@]5([H])CC(=CN5C(=O)c4cc3OC)c3ccc(OC)cc3)cc1N=C2)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1 |c:3,23,28,53,80|
SMILES:[H][C@@]12CC(=CN1C(=O)c1cc(OC)c(OCCCOc3cc4N=C[C@]5([H])CC(=CN5C(=O)c4cc3OC)c3ccc(OC)cc3)cc1N=C2)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1 |c:3,23,28,53,80|

MC-Val-Ala-PBD is a drug-linker conjugate for ADC by using the antitumor antibiotic, pyrrolobenzodiazepine (PBD, a cytotoxic DNA crosslinking), linked via the cleavable linker MC-Val-Ala[1].

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