Elsamitrucin is a heterocyclic antineoplastic antibiotic isolated from the bacterium Actinomycete strain J907-21. Elsamitrucin intercalates into DNA at guanine-cytosine (G-C)-rich sequences and inhibits topoisomerase I and II, resulting in single-strand breaks and inhibition of DNA replication. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus).
CAS 97068-30-9 MFCD00866439
化学结构图
SMILES: CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@]2(C)O)[C@@H]1N
化学属性
| Mol. Formula | C33H35NO13 |
|---|---|
| Mol. Weight | 653.63 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Elsamitrucin is a heterocyclic antineoplastic antibiotic isolated from the bacterium Actinomycete strain J907-21. Elsamitrucin intercalates into DNA at guanine-cytosine (G-C)-rich sequences and inhibits topoisomerase I and II, resulting in single-strand breaks and inhibition of DNA replication. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus). |
|---|---|
| Formula | C33H35NO13 |
| Synonym | 10Oelsaminosylelsarosylchartarin; elsamicin A; BBM 2478A; BMY2800; BRN 5214813; BMY28090 D03977 |
| IUPAC Name | 10-(((2S,3R,4S,5S,6R)-3-(((2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-6-hydroxy-1-methylbenzo[h]chromeno[5,4,3-cde]chromene-5,12-dione |
| InChIKey | MGQRRMONVLMKJL-KWJIQSIXSA-N |
| InChI | InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1 |
| Canonical SMILES | O=C1OC2=C(C3=C(O4)C5=C(O[C@H]6[C@H](O[C@@H]7[C@H](N)[C@@H](OC)[C@@H](O)[C@@H](C)O7)[C@@](C)(O)[C@@H](O)[C@@H](C)O6)C=CC=C5C(O)=C31)C(C4=O)=C(C)C=C2 |
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- Elsamitrucin is a heterocyclic antineoplastic antibiotic isolated from the bacterium Actinomycete strain J907-21. Elsamitrucin intercalates into DNA at guanine-cytosine (G-C)-rich sequences and inhibits topoisomerase I and II, resulting in single-strand breaks and inhibition of DNA replication. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus).
