Name: MC-VC-PABC-DNA31
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214314824
Cas No:1639352-03-6
常用名:MC-VC-PABC-DNA31
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-30-(4-{[({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]amino}piperidin-1-yl)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1^{4,7}.0^{5,36}.0^{26,35}.0^{28,33}]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-13-yl acetate
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-30-(4-{[({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]amino}piperidin-1-yl)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1^{4,7}.0^{5,36}.0^{26,35}.0^{28,33}]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-13-yl acetate
InChI key:RKKKJARWVLSSDF-KDHVNPGOSA-N

分子式:C77H96N10O21
分子量:1497.664
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(OC)\C=C/O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C)N1CCC(CC1)NC(=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:4,34,36,107|
SMILES:[H][C@]1(OC)\C=C/O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C)N1CCC(CC1)NC(=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:4,34,36,107|

MC-VC-PABC-DNA31 is a drug-linker conjugate designed for Antibody-Drug Conjugates (ADC) that demonstrates potent antitumor activity. It employs DNA31, an effective inhibitor of RNA polymerase, connected through the MC-VC-PABC ADC linker.

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