Milataxel
CAS 393101-41-2 MFCD93101412
化学结构图
SMILES: CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](O)C(=O)[C@@]21C)C3(C)C
化学属性
| Mol. Weight | 853.9 |
|---|---|
| Appearance | Solid powder |
| Solubility | soluble in DMSO, not soluble in water. |
别名和识别编码
| Chemical Name Translation | |
|---|---|
| Chemical Name | Milataxel |
| Formula | C44H55NO16 |
| Synonym | MAC-321; MAC 321; MAC321; TL-139; TL-139; TL-139; Milataxel |
| IUPAC Name | (2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-acetoxy-9-(((2R,3R)-3-((tert-butoxycarbonyl)amino)-3-(furan-2-yl)-2-hydroxypropanoyl)oxy)-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(propionyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate |
| InChIKey | XIVMHSNIQAICTR-DMUFGCTNSA-N |
| InChI | InChI=1S/C44H55NO16/c1-10-29(47)58-27-19-28-43(21-56-28,60-23(3)46)34-36(59-37(51)24-15-12-11-13-16-24)44(54)20-26(22(2)30(41(44,7)8)32(48)35(50)42(27,34)9)57-38(52)33(49)31(25-17-14-18-55-25)45-39(53)61-40(4,5)6/h11-18,26-28,31-34,36,48-49,54H,10,19-21H2,1-9H3,(H,45,53)/t26-,27-,28+,31-,32+,33+,34?,36-,42+,43-,44+/m0/s1 |
| Canonical SMILES | O=C(O[C@@H]1C(C)=C(C2(C)C)[C@@H](O)C([C@@]([C@@H](OC(CC)=O)C3)(C)C([C@@]4(OC(C)=O)[C@]3([H])OC4)[C@H](OC(C5=CC=CC=C5)=O)[C@]2(O)C1)=O)[C@H](O)[C@@H](NC(OC(C)(C)C)=O)C6=CC=CO6 |
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产品应用
- Milataxel is an orally bioavailable taxane with potential antineoplastic activity. Upon oral administration, milataxel and its major active metabolite M-10 bind to and stabilize tubulin, resulting in the inhibition of microtubule depolymerization and cell division, cell cycle arrest in the G2/M phase, and the inhibition of tumor cell proliferation. Unlike other taxane compounds, milataxel appears to be a poor substrate for the multidrug resistance (MDR) membrane-associated P-glycoprotein (P-gp) efflux pump and may be useful for treating multidrug-resistant tumors. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus).
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