Name: Duocarmycin SA
Rating: 5 (10 reviews)

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HIT ID:HIT212667170
Cas No:130288-24-3
常用名:Duocarmycin SA
IUPAC:methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-triene-4-carboxylate
IUPAC:methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-triene-4-carboxylate
InChI key:VQNATVDKACXKTF-XELLLNAOSA-N

分子式:C25H23N3O7
分子量:477.473
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:0.9069417
SMILES:[H][C@]12C[C@@]11C(=CC(=O)c3[nH]c(cc13)C(=O)OC)N(C2)C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 |c:5|
SMILES:[H][C@]12C[C@@]11C(=CC(=O)c3[nH]c(cc13)C(=O)OC)N(C2)C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 |c:5|

Duocarmycin SA is an extremely potent cytotoxic agent and antitumor antibiotic that induces sequence-selective alkylation of duplex DNA, with an IC50 of 10 pM. It demonstrates synergistic cytotoxicity against glioblastoma multiforme (GBM) cells when combined with proton radiation in vitro.

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