DMEA-PNU-159682 | CAS 1799421-48-9 | AnyMole

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HIT212667114

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HIT212667114

HIT ID:HIT212667114
Cas No:1799421-48-9
常用名:DMEA-PNU-159682
IUPAC:2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl N-methyl-N-[2-(methylamino)ethyl]carbamate
IUPAC:2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl N-methyl-N-[2-(methylamino)ethyl]carbamate
InChI key:XGQVZTMSFDNDRX-KCNAVCIPSA-N

分子式:C37H45N3O14
分子量:755.774
氢键供体数 (HBD):4
氢键受体数 (HBA):15
LogP:2.2462776
SMILES:[H][C@]12O[C@]3([H])[C@H](C)O[C@]([H])(C[C@]3([H])N1CCO[C@@H]2OC)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(=O)COC(=O)N(C)CCNC
SMILES:[H][C@]12O[C@]3([H])[C@H](C)O[C@]([H])(C[C@]3([H])N1CCO[C@@H]2OC)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(=O)COC(=O)N(C)CCNC

DMEA-PNU-159682 (molecule D12) is an ADC cytotoxin molecule that includes neomycin (MMDX) metabolites from liver microsomes and the effective ADC cytotoxin PNU-159682.

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供应商
TargetMolSC
规格
货期
3-6月
纯度
-
¥ 17,200.00
1

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