Penclomedine (BioDeep_00000182169)

   

human metabolite blood metabolite


代谢物信息卡片


3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine

化学式: C8H6Cl5NO2 (322.8841166)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 21.05%

分子结构信息

SMILES: COC1=C(C(=NC(=C1Cl)OC)C(Cl)(Cl)Cl)Cl
InChI: InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3

描述信息

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
D000970 - Antineoplastic Agents

同义名列表

3 个代谢物同义名

3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine; 3,5-dichloro-2,4-Dimethoxy-6-trichloromethylpyridine; Penclomedine



数据库引用编号

6 个数据库交叉引用编号

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

  • Basavaraj K Nanjwade, Didhija J Patel, Ritesh A Udhani, Fakirappa V Manvi. Functions of lipids for enhancement of oral bioavailability of poorly water-soluble drugs. Scientia pharmaceutica. 2011 Oct; 79(4):705-27. doi: 10.3797/scipharm.1105-09. [PMID: 22145101]
  • Lee Roy Morgan, Robert F Struck, William R Waud, Blaise LeBlanc, Andrew H Rodgers, Branko S Jursic. Carbonate and carbamate derivatives of 4-demethylpenclomedine as novel anticancer agents. Cancer chemotherapy and pharmacology. 2009 Sep; 64(4):829-35. doi: 10.1007/s00280-009-0933-9. [PMID: 19255760]
  • Luke H Stockwin, Sherry X Yu, Howard Stotler, Melinda G Hollingshead, Dianne L Newton. ARC (NSC 188491) has identical activity to Sangivamycin (NSC 65346) including inhibition of both P-TEFb and PKC. BMC cancer. 2009 Feb; 9(?):63. doi: 10.1186/1471-2407-9-63. [PMID: 19232100]
  • Dimitrios G Fatouros, Ditte M Karpf, Flemming S Nielsen, Anette Mullertz. Clinical studies with oral lipid based formulations of poorly soluble compounds. Therapeutics and clinical risk management. 2007 Aug; 3(4):591-604. doi: ". [PMID: 18472981]
  • Robert F Struck, William R Waud. Thiolo-, thiono- and dithiocarbonate and thiocarbamate derivatives of demethylpenclomedine as novel anticancer agents. Cancer chemotherapy and pharmacology. 2006 Jan; 57(2):180-4. doi: 10.1007/s00280-005-0031-6. [PMID: 16096790]
  • P Chris de Smidt, Miguel A Campanero, Iñaki F Trocóniz. Intestinal absorption of penclomedine from lipid vehicles in the conscious rat: contribution of emulsification versus digestibility. International journal of pharmaceutics. 2004 Feb; 270(1-2):109-18. doi: 10.1016/j.ijpharm.2003.10.036. [PMID: 14726127]
  • Seamus O'Reilly, Elizabeth O'Hearn, Robert F Struck, Eric K Rowinsky, Mark E Molliver. The alkylating agent penclomedine induces degeneration of purkinje cells in the rat cerebellum. Investigational new drugs. 2003 Aug; 21(3):269-79. doi: 10.1023/a:1025456224751. [PMID: 14578677]
  • Anita Tiwari, James M Riordan, William R Waud, Robert F Struck. Synthesis and antitumor activity of several new analogues of penclomedine and its metabolites. Journal of medicinal chemistry. 2002 Feb; 45(5):1079-85. doi: 10.1021/jm010334e. [PMID: 11855988]
  • S O'Reilly, N R Hartman, K M Bowling, E K Rowinsky, R C Donehower, J Collins, J M Strong. Bioavailability of penclomedine and systemic exposure to 4-O-demethylpenclomedine in patients receiving oral and intravenous penclomedine. Cancer chemotherapy and pharmacology. 2001 Sep; 48(3):223-8. doi: 10.1007/s002800100346. [PMID: 11592344]
  • R F Struck, A Tiwari, H S Friedman, S Keir, L R Morgan, W R Waud. Acyl derivatives of demethylpenclomedine, an antitumor-active, non-neurotoxic metabolites of penclomedine. Cancer chemotherapy and pharmacology. 2001 Jul; 48(1):47-52. doi: 10.1007/s002800000255. [PMID: 11488524]
  • S Venkatesh, J Li, K D Caldwell, B D Anderson. Compositional heterogeneity in parenteral lipid emulsions after sedimentation field flow fractionation. Journal of pharmaceutical sciences. 1998 Jul; 87(7):859-66. doi: 10.1021/js970399y. [PMID: 9649355]
  • S O'Reilly, L B Grochow, R C Donehower, T L Chen, K Bowling, N R Hartman, R F Struck, E K Rowinsky. Phase I and pharmacologic study of penclomedine, a novel alkylating agent, in patients with solid tumors. Journal of clinical oncology : official journal of the American Society of Clinical Oncology. 1997 May; 15(5):1974-84. doi: 10.1200/jco.1997.15.5.1974. [PMID: 9164209]
  • W R Waud, A Tiwari, S M Schmid, T W Shih, J M Strong, N R Hartman, S O'Reilly, R F Struck. 4-Demethylpenclomedine, an antitumor-active, potentially nonneurotoxic metabolite of penclomedine. Cancer research. 1997 Mar; 57(5):815-7. doi: NULL. [PMID: 9041177]
  • N R Hartman, S O'Reilly, E K Rowinsky, J M Collins, J M Strong. Murine and human in vivo penclomedine metabolism. Clinical cancer research : an official journal of the American Association for Cancer Research. 1996 Jun; 2(6):953-62. doi: . [PMID: 9816256]
  • S O'Reilly, N R Hartman, S A Grossman, J M Strong, R F Struck, S Eller, G J Lesser, R C Donehower, E K Rowinsky. Tissue and tumor distribution of C-penclomedine in rats. Clinical cancer research : an official journal of the American Association for Cancer Research. 1996 Mar; 2(3):541-8. doi: . [PMID: 9816201]
  • J M Reid, D A Mathiesen, L M Benson, M J Kuffel, M M Ames. Murine pharmacokinetics and metabolism of penclomedine [3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine, NSC 338720]. Cancer research. 1992 May; 52(10):2830-4. doi: NULL. [PMID: 1581896]