MC-VC-PAB-Tubulysin M | CAS 1639939-56-2

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HIT ID:HIT214322718
Cas No:1639939-56-2
常用名:MC-VC-PAB-Tubulysin M
IUPAC:(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-2-{[(2R)-1-[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl]piperidin-2-yl]formamido}-N,3-dimethylpentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-2-methyl-5-phenylpentanoic acid
IUPAC:(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-3-[(2S,3S)-2-{[(2R)-1-[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl]piperidin-2-yl]formamido}-N,3-dimethylpentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-2-methyl-5-phenylpentanoic acid
InChI key:RIMZNVUCGMFJGP-KCYCJFSYSA-N

分子式:C66H93N11O15S
分子量:1312.59
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |c:49,@@:52,90|
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |c:49,@@:52,90|

MC-vc-PAB-Tubulysin M is a conjugate composed of a cleavable ADC linker (MC-vc-PAB) and the cytotoxic tubulin inhibitor Tubulysin M, which inhibits tubulin polymerization, resulting in cell cycle arrest and apoptosis.

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