Dichloromethotrexate (BioDeep_00000178223)

   

human metabolite blood metabolite


代谢物信息卡片


2-[(3,5-dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid

化学式: C20H20Cl2N8O5 (522.093365)
中文名称:
谱图信息: 最多检出来源 Rattus norvegicus(blood) 97.44%

分子结构信息

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl
InChI: InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)

描述信息

D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
D000970 - Antineoplastic Agents

同义名列表

6 个代谢物同义名

2-[(3,5-dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid; N-(3,5-Dichloro-4-((2,4-diamino-6-pteridinyl)methyl)methyl)methylaminobenzoylglutamic acid; 3,5-Dichloromethotrexate; Methotrexate, dichloro-; NSC 145883; NSC 29630; Dichloromethotrexic acid; 3,5-Dichloromethotrexate; Dichloromethotrexate



数据库引用编号

4 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

  • A Hantel, E K Rowinsky, D A Noe, W P McGuire, L B Grochow, B L Vito, D S Ettinger, R C Donehower. Clinical and pharmacologic reappraisal of dichloromethotrexate. Journal of the National Cancer Institute. 1988 Dec; 80(19):1547-53. doi: 10.1093/jnci/80.19.1547. [PMID: 3193470]
  • K V Shepard, B Levin, J Faintuch, M I Doria, R A DuBrow, R H Riddell. Hepatitis in patients receiving intraarterial chemotherapy for metastatic colorectal carcinoma. American journal of clinical oncology. 1987 Feb; 10(1):36-40. doi: 10.1097/00000421-198702000-00008. [PMID: 2950752]
  • D C Ihde, M J Matthews, R W Makuch, K R McIntire, J L Eddy, L B Seeff. Prognostic factors in patients with hepatocellular carcinoma receiving systemic chemotherapy. Identification of two groups of patients with prospects for prolonged survival. The American journal of medicine. 1985 Mar; 78(3):399-406. doi: 10.1016/0002-9343(85)90330-4. [PMID: 2579551]
  • K V Shepard, B Levin, R C Karl, J Faintuch, R A DuBrow, M Hagle, R M Cooper, J Beschorner, D Stablein. Therapy for metastatic colorectal cancer with hepatic artery infusion chemotherapy using a subcutaneous implanted pump. Journal of clinical oncology : official journal of the American Society of Clinical Oncology. 1985 Feb; 3(2):161-9. doi: 10.1200/jco.1985.3.2.161. [PMID: 3155793]
  • R H Wheeler, R B Natale, S G Roshon, S R Baker. A phase I-II trial of cisplatin and dichloromethotrexate in squamous cell cancer of the head and neck. Journal of clinical oncology : official journal of the American Society of Clinical Oncology. 1984 Jul; 2(7):831-5. doi: 10.1200/jco.1984.2.7.831. [PMID: 6539813]
  • A Rosowsky, C S Yu. Methotrexate analogues. 18. Enhancement of the antitumor effect of methotrexate and 3',5'-dichloromethotrexate by the use of lipid-soluble diesters. Journal of medicinal chemistry. 1983 Oct; 26(10):1448-52. doi: 10.1021/jm00364a017. [PMID: 6620303]
  • T Ohnoshi, T Ohnuma, I Takahashi, K Scanlon, B A Kamen, J F Holland. Establishment of methotrexate-resistant human acute lymphoblastic leukemia cells in culture and effects of folate antagonists. Cancer research. 1982 May; 42(5):1655-60. doi: NULL. [PMID: 6978176]
  • W J Tester, R C Donehower, J L Eddy, C E Myers, D C Ihde. Evaluation of weekly escalating doses of dichloromethotrexate in patients with hepatocellular carcinoma and other solid tumors. Cancer chemotherapy and pharmacology. 1982; 8(3):305-10. doi: 10.1007/bf00254055. [PMID: 6290094]
  • W P Tong, J L Wisnicki, J Horton, D B Ludlum. A direct analysis of methotrexate, dichloromethotrexate and their 7-hydroxy metabolites in plasma by high pressure liquid chromatography. Clinica chimica acta; international journal of clinical chemistry. 1980 Oct; 107(1-2):67-72. doi: 10.1016/0009-8981(80)90415-5. [PMID: 7428179]
  • B Fernbach, I Takahashi, T Ohnuma, J F Holland. Clinical and laboratory reevalution of dichloromethotrexate. Recent results in cancer research. Fortschritte der Krebsforschung. Progres dans les recherches sur le cancer. 1980; 74(?):56-64. doi: 10.1007/978-3-642-81488-4_8. [PMID: 7444149]
  • J D DAVIDSON, V T OLIVERIO. THE PHYSIOLOGIC DISPOSITION OF DICHLOROMETHOTREXATE-C136 IN MAN. Clinical pharmacology and therapeutics. 1965 May; 6(?):321-7. doi: 10.1002/cpt196563321. [PMID: 14301766]