Temsirolimus 替西罗莫司

CAS 162635-04-3 MFCD00934421

化学结构图

162635-04-3
SMILES: CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C

化学属性

Mol. FormulaC56H87NO16
Mol. Weight1030
Density1.21
Boiling Point1048.5
Melting Point270
Appearance Solid powder
SolubilitySoluble in DMSO, not in water

别名和识别编码

Chemical NameTemsirolimus
CAS Number162635-04-3
Synonym 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]-rapamycin CCI-779 雷帕霉素 42-[3-Hydroxy-2-methylpropanoate CCI779; CCI-779; CCI 779; Temsirolimus; US brand name: Torisel. CCL-779 Rapamycin Rapamycin 42-(2,2-bis(hydroxymethyl)propionate) Rapamycin 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate
MDL NumberMFCD00934421
PubChem Substance ID354335686
Reaxys-RN9985459
Merck Number9142
Chemical Name Translation替西罗莫司
FormulaC56H87NO16
IUPAC Name(1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.
InChIKeyCBPNZQVSJQDFBE-FUXHJELOSA-N
InChIInChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1
Canonical SMILESO=C(O[C@H]1[C@H](OC)C[C@H](C[C@H]([C@@H](OC([C@@](CCCC2)([H])N2C(C([C@@]3(O)[C@H](C)CC[C@@](O3)([H])C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C([C@H](OC)[C@H](O)/C(C)=C/[C@H]4C)=O)=O)=O)=O)CC4=O)C)CC1)C(C)(CO)CO
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分类

  • Approved Therapeutics/Drug Candidates, Autophagy, Autophagy Activators, Cell Biology, Cell Signaling and Neuroscience, Kinase/Phosphatase Biology, Mammalian target of Rapamycin (mTOR), Pfizer Compounds, Serine/Threonine Kinase Biology, Serine/Threonine Kinase Inhibitors
  • {SNA} Approved Therapeutics/Drug Candidates, Autophagy, Autophagy Activators, Bioactive Small Molecule Alphabetical Index, Fluorination Ready Pharma-Developed Compounds, Kinase/Phosphatase Biology, Mammalian target of Rapamycin (mTOR), Pfizer Compounds, Serine/Threonine Kinase Biology, Serine/Threonine Kinase Inhibitors, T, 生物活性小分子, 细胞信号转导和神经科学,

产品应用

  • Temsirolimus is an ester analog of rapamycin. Temsirolimus binds to and inhibits the mammalian target of rapamycin (mTOR), resulting in decreased expression of mRNAs necessary for cell cycle progression and arresting cells in the G1 phase of the cell cycle. mTOR is a serine/threonine kinase which plays a role in the PI3K/AKT pathway that is upregulated in some tumors. Temsirolimus (CCI-779) is an intravenous drug for the treatment of renal cell carcinoma (RCC), developed by Wyeth Pharmaceuticals and approved by the U.S. Food and Drug Administration (FDA) in late May 2007, and was also approved by the European Medicines Agency (EMEA) on November 2007.

相关文献及参考

  • Raymond, E., et al.: J. Clin. Oncol., 22, 2336 (2004),
  • Le Tourneau, C. et al., mTORC1 inhibitors: is temsirolimus in renal cancer telling us how they really work? Br. J. Cancer 99 , 1197-1203, (2008) 摘要
  • Merck 14 ,9142

安全信息

WGK Germany3
Hazard statements
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
RTECSVE6257000
GHS Symbol
Signal word
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P308+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Kinase/Phosphatase Biology - Cell Signaling and Neuroscience
  5. Serine/Threonine Kinase Biology - Kinase/Phosphatase Biology
  6. Serine/Threonine Kinase Inhibitors - Serine/Threonine Kinase Biology
  7. Mammalian target of Rapamycin (mTOR) - Serine/Threonine Kinase Inhibitors
  1. Medical Research Areas
  2. Angiogenesis
  3. HIF
  1. Medical Research Areas
  2. Epigenetics
  3. HIF

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