Temsirolimus (CCI-779, Torisel)

• CAT Number: I002093
• CAS Number: 162635-04-3
• Molecular Formula: C₅₆H₈₇NO₁₆
• Molecular Weight: 1030.29
• Purity: ≥95%
• Target: mTOR
• Solubility: DMSO: ≥ 200 mg/mL, H2O: ≥ 1.2 mg/mL, Ethanol: ≥ 200 mg/mL
• Storage: 3 years -20℃ powder
• IC50: 1.76 ± 0.15 μM
• IUPAC Name: [(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
• InChI: InChI=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
• InChIKey: CBPNZQVSJQDFBE-FUXHJELOSA-N
• SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC

Temsirolimus (CCI-779, Torisel)（Cat No.:I002093）is a selective inhibitor of mTOR (mechanistic target of rapamycin), primarily used as an antineoplastic agent. It works by binding to FKBP-12, forming a complex that inhibits mTORC1, thereby blocking the signaling pathways involved in cell growth, proliferation, and angiogenesis. Temsirolimus is used in the treatment of renal cell carcinoma and other cancers with dysregulated mTOR signaling. Its ability to suppress tumor growth makes it a valuable option for targeted cancer therapies. Temsirolimus also shows immunosuppressive properties, contributing to its broader therapeutic applications.

Reference

1:Probing the interaction of anticancer drug temsirolimus with human serum albumin: molecular docking and spectroscopic insight. Shamsi A, Ahmed A, Bano B.J Biomol Struct Dyn. 2017 May 18:1-11. doi: 10.1080/07391102.2017.1326320. [Epub ahead of print] PMID: 28464730 2:A phase I dose-escalation study of Selumetinib in combination with Erlotinib or Temsirolimus in patients with advanced solid tumors. Infante JR, Cohen RB, Kim KB, Burris HA 3rd, Curt G, Emeribe U, Clemett D, Tomkinson HK, LoRusso PM.Invest New Drugs. 2017 Apr 19. doi: 10.1007/s10637-017-0459-7. [Epub ahead of print] PMID: 28424891 3:Combined activity of temozolomide and the mTOR inhibitor temsirolimus in metastatic melanoma involves DKK1. Niessner H, Kosnopfel C, Sinnberg T, Beck D, Krieg K, Wanke I, Lasithiotakis K, Bonin M, Garbe C, Meier F.Exp Dermatol. 2017 Apr 19. doi: 10.1111/exd.13372. [Epub ahead of print] PMID: 28423208 4:Neuroprotective Effects of Temsirolimus in Animal Models of Parkinson/’s Disease. Siracusa R, Paterniti I, Cordaro M, Crupi R, Bruschetta G, Campolo M, Cuzzocrea S, Esposito E.Mol Neurobiol. 2017 Mar 29. doi: 10.1007/s12035-017-0496-4. [Epub ahead of print] PMID: 28357809 5:Mammalian target of rapamycin inhibitors, temsirolimus and torin 1, attenuate stemness-associated properties and expression of mesenchymal markers promoted by phorbol-myristate-acetate and oncostatin-M in glioblastoma cells. Chandrika G, Natesh K, Ranade D, Chugh A, Shastry P.Tumour Biol. 2017 Mar;39(3):1010428317695921. doi: 10.1177/1010428317695921. PMID: 28351321 6:Combination of Photon and Carbon Ion Irradiation with Targeted Therapy Substances Temsirolimus and Gemcitabine in Hepatocellular Carcinoma Cell Lines. Dehne S, Fritz C, Rieken S, Baris D, Brons S, Haberer T, Debus J, Weber KJ, Schmid TE, Combs SE, Habermehl D.Front Oncol. 2017 Mar 13;7:35. doi: 10.3389/fonc.2017.00035. eCollection 2017. PMID: 28348976 Free PMC Article7:A phase 1 trial of temsirolimus and intensive re-induction chemotherapy for 2nd or greater relapse of acute lymphoblastic leukaemia: a Children/’s Oncology Group study (ADVL1114). Rheingold SR, Tasian SK, Whitlock JA, Teachey DT, Borowitz MJ, Liu X, Minard CG, Fox E, Weigel BJ, Blaney SM.Br J Haematol. 2017 May;177(3):467-474. doi: 10.1111/bjh.14569. Epub 2017 Mar 14. PMID: 28295182 8:Phase I trial of MEK 1/2 inhibitor pimasertib combined with mTOR inhibitor temsirolimus in patients with advanced solid tumors. Mita M, Fu S, Piha-Paul SA, Janku F, Mita A, Natale R, Guo W, Zhao C, Kurzrock R, Naing A.Invest New Drugs. 2017 Feb 13. doi: 10.1007/s10637-017-0442-3. [Epub ahead of print] PMID: 28194539 9:Curcumin enhances temsirolimus-induced apoptosis in human renal carcinoma cells through upregulation of YAP/p53. Xu S, Yang Z, Fan Y, Guan B, Jia J, Gao Y, Wang K, Wu K, Wang X, Zheng P, He D, Guo P.Oncol Lett. 2016 Dec;12(6):4999-5006. doi: 10.3892/ol.2016.5376. Epub 2016 Nov 10. PMID: 28105206 Free PMC Article10:Safety profile of temsirolimus in patients with metastatic renal cell carcinoma. Levakov I, Vojinov S, Marusic G, Popov M, Levakov O, Popov M, Jeremic D.J BUON. 2016 Nov-Dec;21(6):1442-1448. PMID: 28039705