Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- β-[[（1,1-二甲基乙氧基）羰基]氨基]-α-羟基-苯丙酸,(乙酰氧基)-12-(苯甲酰氧基)- 十二氢-11-羟基-4,6-二甲氧基-4,8,8,13,13-四甲基-5-氧代-7,11-亚甲基-1H-环癸烷[3,4]苯并[1,2-b]氧杂-9-基酯
CAS 183133-96-2 MFCD83133962
化学结构图
SMILES: CC(C)(C)OC(=O)N[C@@H]([C@H](O)C(=O)O[C@@H]1C[C@]2(O)[C@H](OC(=O)C3C=CC=CC=3)[C@H]3[C@]4(CO[C@H]4C[C@H](OC)[C@]3(C)C(=O)[C@H](OC)C(=C1C)C2(C)C)OC(C)=O)C1C=CC=CC=1 |&1:8,9,14,16,18,28,29,32,34,37,41|
化学属性
| Mol. Weight | 835.93 |
|---|---|
| Mol. Formula | C45H57NO14 |
| Melting Point | 181-183 |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 183133-96-2 |
|---|---|
| Chemical Name | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- |
| Synonym | TXD 258; XRP 6258 XRP6258; XRP-6258; XRP 6258; TXD 258; TXD-258; TXD258; RPR116258A; axoid XRP6258; dimethoxydocetaxel US brand name: Jevtana. |
| Chemical Name Translation | β-[[（1,1-二甲基乙氧基）羰基]氨基]-α-羟基-苯丙酸,(乙酰氧基)-12-(苯甲酰氧基)- 十二氢-11-羟基-4,6-二甲氧基-4,8,8,13,13-四甲基-5-氧代-7,11-亚甲基-1H-环癸烷[3,4]苯并[1,2-b]氧杂-9-基酯 |
| Formula | C45H57NO14 |
| IUPAC Name | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-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 | BMQGVNUXMIRLCK-OAGWZNDDSA-N |
| InChI | InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1 |
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分类
- Aromatics
- Chiral Reagents
- Inhibitors
- Pharmaceuticals
- Intermediates & Fine Chemicals,
产品应用
- Cabazitaxel is a semi-synthetic derivative of the natural taxoid 10-deacetylbaccatin III with potential antineoplastic activity. Cabazitaxel binds to and stabilizes 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, this agent is a poor substrate for the membrane-associated, multidrug resistance (MDR), P-glycoprotein (P-gp) efflux pump and may be useful for treating multidrug-resistant tumors. In addition, cabazitaxel penetrates the blood-brain barrier (BBB).
相关文献及参考
- [2]. Gdowski AS, et al. Bone-targeted cabazitaxel nanoparticles for metastatic prostate cancer skeletal lesions and pain. Nanomedicine (Lond). 2017 Sep;12(17):2083-2095.
- Agarwal, N. et al.: Fut. Oncol., 7, 15 (2011); Mita, A. et al.: Clin. Cancer Res., 15, 723 (2009); Figg, W.D. et al.: Cancer Biol. Ther., 10, 1233 (2010);
- [1]. Tai X, et al. Cabazitaxel and indocyanine green co-delivery tumor-targeting nanoparticle for improved antitumor efficacy and minimized drug toxicity. J Drug Target. 2016 Sep 9:1-29.
- [1]. Tai X, et al. Cabazitaxel and indocyanine green co-delivery tumor-targeting nanoparticle for improved antitumor efficacy and minimized drug toxicity. J Drug Target. 2016 Sep 9:1-29.
- [2]. Gdowski AS, et al. Bone-targeted cabazitaxel nanoparticles for metastatic prostate cancer skeletal lesions and pain. Nanomedicine (Lond). 2017 Sep;12(17):2083-2095.
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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