Name: Becatecarin
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214321164
Cas No:119673-08-4
常用名:Becatecarin
IUPAC:5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
IUPAC:5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
InChI key:JSKFWUPVIZYJMR-UDOAKELVSA-N

分子式:C33H34Cl2N4O7
分子量:669.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(CC)CCN1C(=O)c2c(C1=O)c1c3cccc(Cl)c3n([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)c1c1[nH]c3c(Cl)cccc3c21
SMILES:CCN(CC)CCN1C(=O)c2c(C1=O)c1c3cccc(Cl)c3n([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)c1c1[nH]c3c(Cl)cccc3c21

Becatecarin is a water-soluble, diethylaminoethyl analog of the antineoplastic antibiotic rebeccamycin. It intercalates into DNA, stabilizing the DNA-topoisomerase complex. This results in the potent catalytic inhibition of both topoisomerases I and II, initiating DNA cleavage and apoptosis. Becatecarin, alone or in combination with other compounds, has anti-cancer as well as myelosuppressive effects in vivo. It is also a transport substrate of the ATP-binding cassette (ABC) transporter ABCG2.

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