MC-Alkyl-Hydrazine Modified MMAF | CAS 1404071-64-2

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HIT ID:HIT212667978
Cas No:1404071-64-2
常用名:MC-Alkyl-Hydrazine Modified MMAF
常用名:MC-Alkyl-Hydrazine Modified MMAF
IUPAC:(2S)-2-[(2S)-2-({4-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazido]-4-oxobutyl}(methyl)amino)-3-methylbutanamido]-N-[(3R,4R,5S)-1-[(2S)-2-[(1R,2R)-2-{[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazinan-2-yl)-1-oxopropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
IUPAC:(2S)-2-[(2S)-2-({4-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazido]-4-oxobutyl}(methyl)amino)-3-methylbutanamido]-N-[(3R,4R,5S)-1-[(2S)-2-[(1R,2R)-2-{[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazinan-2-yl)-1-oxopropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
InChI key:PRQULPMRBYRDQV-CJTIIHCBSA-N

分子式:C59H92N10O12
分子量:1133.443
氢键供体数 (HBD):5
氢键受体数 (HBA):13
LogP:3.6960304
SMILES:[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCO1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCC(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C |c:80|
SMILES:[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCO1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCC(=O)NNC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C |c:80|

MC-Alkyl-Hydrazine Modified MMAF is a potent antitumor drug-linker conjugate for ADC, incorporating Modified MMAF, a tubulin inhibitor, through a noncleavable MC-Alkyl-Hydrazine linkage[1].

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