Mal-VC-PAB-ABAEP-Azonafide | CAS 2259318-48-2

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HIT ID:HIT212667976
Cas No:2259318-48-2
常用名:Mal-VC-PAB-ABAEP-Azonafide
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl N-[4-({2-[4-(2-{10-methoxy-14,16-dioxo-15-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl}ethyl)piperazin-1-yl]ethyl}carbamoyl)phenyl]carbamate
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl N-[4-({2-[4-(2-{10-methoxy-14,16-dioxo-15-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl}ethyl)piperazin-1-yl]ethyl}carbamoyl)phenyl]carbamate
InChI key:UGCBMUWUWZSDLF-ZKHWSWFBSA-N

分子式:C61H71N11O12
分子量:1150.304
氢键供体数 (HBD):7
氢键受体数 (HBA):14
LogP:3.7265701
SMILES:COc1ccc2C(=O)N(CCN3CCN(CCNC(=O)c4ccc(NC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN6C(=O)C=CC6=O)C(C)C)cc5)cc4)CC3)C(=O)c3c4ccccc4cc1c23 |c:59|
SMILES:COc1ccc2C(=O)N(CCN3CCN(CCNC(=O)c4ccc(NC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN6C(=O)C=CC6=O)C(C)C)cc5)cc4)CC3)C(=O)c3c4ccccc4cc1c23 |c:59|

Mal-VC-PAB-ABAEP-Azonafide, an ADC (antibody-drug conjugate) linker-drug conjugate, demonstrates potent antitumor activity. It incorporates Azonafide, a cytotoxin, connected through the ADC linker Mal-VC-PAB[1].

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