Temsirolimus (BioDeep_00000010491)
Secondary id: BioDeep_00000858820
human metabolite blood metabolite Chemicals and Drugs
代谢物信息卡片
(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
化学式: C56H87NO16 (1029.6024542)
中文名称: 替西罗莫司
谱图信息:
最多检出来源 Homo sapiens(blood) 50%
分子结构信息
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
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/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,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
描述信息
Temsirolimus is an intravenous drug for the treatment of renal cell carcinoma (RCC), developed by Wyeth Pharmaceuticals and approved by the FDA in late May 2007, and was also approved by the European Medicines Agency (EMEA) on November 2007. It is a derivative of sirolimus and is sold as Torisel.
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EG - Mammalian target of rapamycin (mtor) kinase inhibitors
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
D000970 - Antineoplastic Agents > D000091203 - MTOR Inhibitors
Same as: D06068
Temsirolimus is an inhibitor of mTOR with an IC50 of 1.76 μM. Temsirolimus activates autophagy and prevents deterioration of cardiac function in animal model[8].
Temsirolimus is an inhibitor of mTOR with an IC50 of 1.76 μM. Temsirolimus activates autophagy and prevents deterioration of cardiac function in animal model[8].
同义名列表
9 个代谢物同义名
(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; 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid]rapamycin; Rapamycin, 42-(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate); 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin; Wyeth brand OF temsirolimus; Temsirolimus; CCI-779; Torisel; CCI 779
数据库引用编号
18 个数据库交叉引用编号
- ChEBI: CHEBI:79699
- KEGG: C15182
- PubChem: 23724530
- PubChem: 6918289
- PubChem: 148191
- HMDB: HMDB0015632
- Metlin: METLIN70671
- DrugBank: DB06287
- ChEMBL: CHEMBL1201182
- Wikipedia: Temsirolimus
- chemspider: 21468899
- CAS: 162635-04-3
- PMhub: MS000024355
- PubChem: 17396179
- PDB-CCD: A4I
- NIKKAJI: J1.737.432J
- RefMet: Temsirolimus
- medchemexpress: HY-50910
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
- Arne Strauss, Marianne Schmid, Michael Rink, Michael Moran, Stephan Bernhardt, Marcus Hubbe, Lothar Bergmann, Katrin Schlack, Martin Boegemann. Real-world outcomes in patients with metastatic renal cell carcinoma according to risk factors: the STAR-TOR registry.
Future oncology (London, England).
2021 Jun; 17(18):2325-2338. doi:
10.2217/fon-2020-1020. [PMID: 33724867] - Hiromasa Sakamoto, Toshinari Yamasaki, Takayuki Sumiyoshi, Masashi Takeda, Noboru Shibasaki, Noriaki Utsunomiya, Ryuichiro Arakaki, Shusuke Akamatsu, Takashi Kobayashi, Takahiro Inoue, Tomomi Kamba, Eijiro Nakamura, Osamu Ogawa. Functional and genomic characterization of patient-derived xenograft model to study the adaptation to mTORC1 inhibitor in clear cell renal cell carcinoma.
Cancer medicine.
2021 01; 10(1):119-134. doi:
10.1002/cam4.3578. [PMID: 33107222] - Annemarie Uhlig, Johannes Uhlig, Lutz Trojan, Michael Woike, Marianne Leitsmann, Arne Strauß. Toxicities of axitinib, sunitinib and temsirolimus: implications for progression-free and overall survival in metastatic renal cell cancer.
Future oncology (London, England).
2021 Jan; 17(1):45-56. doi:
10.2217/fon-2020-0900. [PMID: 33275038] - Fabian Hofmann, Eu Chang Hwang, Thomas Bl Lam, Axel Bex, Yuhong Yuan, Lorenzo So Marconi, Börje Ljungberg. Targeted therapy for metastatic renal cell carcinoma.
The Cochrane database of systematic reviews.
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European urology oncology.
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10.1016/j.euo.2019.06.004. [PMID: 31272939] - Sen Chen, Long Cui, Qiao Hu, Yingying Shen, Yan Jiang, Juan Zhao. Preclinical evidence that MNK/eIF4E inhibition by cercosporamide enhances the response to antiangiogenic TKI and mTOR inhibitor in renal cell carcinoma.
Biochemical and biophysical research communications.
2020 09; 530(1):142-148. doi:
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Japanese journal of clinical oncology.
2020 Aug; 50(8):940-947. doi:
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Cancer treatment reviews.
2017 Feb; 53(?):53-60. doi:
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BMC cancer.
2017 01; 17(1):27. doi:
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Urologic oncology.
2017 01; 35(1):5-13. doi:
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European urology.
2016 12; 70(6):1006-1015. doi:
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BMC genomics.
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International urology and nephrology.
2016 Nov; 48(11):1811-1816. doi:
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Journal of B.U.ON. : official journal of the Balkan Union of Oncology.
2016 Nov; 21(6):1442-1448. doi:
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Cancer treatment reviews.
2016 Nov; 50(?):109-117. doi:
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Acta medica Indonesiana.
2016 Oct; 48(4):335-347. doi:
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Journal of nephrology.
2016 Oct; 29(5):637-44. doi:
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Medical hypotheses.
2016 Sep; 94(?):148-50. doi:
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BMC cancer.
2016 08; 16(?):577. doi:
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Clinical genitourinary cancer.
2016 08; 14(4):304-313.e6. doi:
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Oncotarget.
2016 Jul; 7(27):41612-41621. doi:
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Anti-cancer drugs.
2016 Jun; 27(5):383-97. doi:
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Clinical drug investigation.
2016 May; 36(5):389-99. doi:
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Clinical genitourinary cancer.
2016 Apr; 14(2):153-9. doi:
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Journal of medicine and life.
2016 Apr; 9(2):193-8. doi:
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Nature communications.
2016 Feb; 7(?):10656. doi:
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Future oncology (London, England).
2016 Feb; 12(4):533-49. doi:
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Progres en urologie : journal de l'Association francaise d'urologie et de la Societe francaise d'urologie.
2016 Jan; 26(1):16-23. doi:
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Future oncology (London, England).
2016 Jan; 12(1):83-93. doi:
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Journal of oncology practice.
2015 Nov; 11(6):491-7. doi:
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Aktuelle Urologie.
2015 Nov; 46(6):467-72. doi:
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British journal of cancer.
2015 Oct; 113(8):1148-57. doi:
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Annals of the Academy of Medicine, Singapore.
2015 Oct; 44(10):406-14. doi:
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Journal of biological regulators and homeostatic agents.
2015 Oct; 29(4):869-73. doi:
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European urology.
2015 Sep; 68(3):516-22. doi:
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Anti-cancer drugs.
2015 Sep; 26(8):866-71. doi:
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Clinical genitourinary cancer.
2015 Aug; 13(4):e321-e323. doi:
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International journal of clinical oncology.
2015 Aug; 20(4):790-5. doi:
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European urology.
2015 Aug; 68(2):341-3. doi:
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European journal of cancer (Oxford, England : 1990).
2015 Aug; 51(12):1596-602. doi:
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Journal of clinical oncology : official journal of the American Society of Clinical Oncology.
2015 Jul; 33(21):2384-91. doi:
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Clinical genitourinary cancer.
2015 Jun; 13(3):210-7. doi:
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Clinical genitourinary cancer.
2015 Jun; 13(3):218-24. doi:
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Molecular cancer therapeutics.
2015 Jun; 14(6):1404-13. doi:
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American journal of physiology. Renal physiology.
2015 May; 308(10):F1056-64. doi:
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Cancer chemotherapy and pharmacology.
2015 May; 75(5):1025-35. doi:
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Clinical genitourinary cancer.
2015 Apr; 13(2):137-41. doi:
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Cancer chemotherapy and pharmacology.
2015 Mar; 75(3):485-93. doi:
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Drug design, development and therapy.
2015; 9(?):13-9. doi:
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American journal of clinical oncology.
2014 Dec; 37(6):611-5. doi:
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Current medical research and opinion.
2014 Nov; 30(11):2343-53. doi:
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Clinical genitourinary cancer.
2014 Oct; 12(5):335-40. doi:
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Medical oncology (Northwood, London, England).
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European urology.
2014 Sep; 66(3):502-9. doi:
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European urology.
2014 Aug; 66(2):275-81. doi:
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Clinical genitourinary cancer.
2014 Aug; 12(4):262-9. doi:
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Autophagy.
2014 Aug; 10(8):1391-402. doi:
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Progres en urologie : journal de l'Association francaise d'urologie et de la Societe francaise d'urologie.
2014 Jul; 24(9):563-71. doi:
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American journal of physiology. Lung cellular and molecular physiology.
2014 Jun; 306(12):L1117-28. doi:
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Bulletin du cancer.
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