
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 72902-38-6 |
| Catalog No. | 2A-2188241 |
| Chinese Name | 20-O-Demethyl-AP3 |
| Synonyms | NSC314018; Ansamitocin derivative TN-006 |
| Molecular Formula | C31H41ClN2O9 |
| Molecular Weight | 621.11800 |
| Density | 1.33g/cm3 |
| Boiling Point | 845.8ºC at 760mmHg |
| Storage Condition | 2-8°C, sealed, dry |
| Application | 20-O-Demethyl-AP3 is a minor metabolite of ansamimycin P-3. Ansamimycin P-3 is a microtubule inhibitor and a macrocyclic anti-tumor antibiotic [1]. |
| PubChem ID | 349880347 |
| SMILES | COC1C=CC=C(C)Cc2cc(O)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C2(C)OC2C(C)C2CC1(O)NC(=O)O2 |
| InChI | InChI=1S/C31H41ClN2O9/c1-16(2)28(37)42-24-14-25(36)34(6)20-12-19(13-21(35)26(20)32)11-17(3)9-8-10-23(40-7)31(39)15-22(41-29(38)33-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,35,39H,11,14-15H2,1-7H3,(H,33,38)/b10-8+,17-9+/t18-,22+,23-,24+,27+,30+,31+/m1/s1 |
| InChI Key | YQVKSZNVVCIETH-AJWAOHEYSA-N |
| Transport Info | Product name: 20-O-Demethyl-AP3 |
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