N-[2-(Diacetylamino)-3-(4-isothiocyanatophenyl)propyl]-N-[2-(diacetylamino)propyl]acetamide (BioDeep_00000172824)

   

human metabolite blood metabolite


代谢物信息卡片


N-[2-(N-acetylacetamido)-3-(4-isothiocyanatophenyl)propyl]-N-[2-(N-acetylacetamido)propyl]acetamide

化学式: C23H30N4O5S (474.193681)
中文名称:
谱图信息: 最多检出来源 Mus musculus(blood) 33.33%

分子结构信息

SMILES: CC(CN(CC(CC1=CC=C(C=C1)N=C=S)N(C(=O)C)C(=O)C)C(=O)C)N(C(=O)C)C(=O)C
InChI: InChI=1S/C23H30N4O5S/c1-15(26(17(3)29)18(4)30)12-25(16(2)28)13-23(27(19(5)31)20(6)32)11-21-7-9-22(10-8-21)24-14-33/h7-10,15,23H,11-13H2,1-6H3

描述信息

同义名列表

6 个代谢物同义名

N-[2-(N-acetylacetamido)-3-(4-isothiocyanatophenyl)propyl]-N-[2-(N-acetylacetamido)propyl]acetamide; N-[2-(Diacetylamino)-3-(4-isothiocyanatophenyl)propyl]-N-[2-(diacetylamino)propyl]acetamide; 2-(4-Isothiocyanatobenzyl)-6-methyldiethylenetriaminepentaacetic acid; 2-(p-SCN-BZ)-6-Methyl-dtpa; 1b4m-DTPA; MX-DTPA



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)

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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

  • Paul C Chinn, Ron A Morena, Denise A Santoro, Timothy Kazules, Syed V S Kashmiri, Jeffrey Schlom, Nabil Hanna, Gary Braslawsky. Pharmacokinetics and tumor localization of (111)in-labeled HuCC49DeltaC(H)2 in BALB/c mice and athymic murine colon carcinoma xenograft. Cancer biotherapy & radiopharmaceuticals. 2006 Apr; 21(2):106-16. doi: 10.1089/cbr.2006.21.106. [PMID: 16706631]
  • J A Carrasquillo, J D White, C H Paik, A Raubitschek, N Le, M Rotman, M W Brechbiel, O A Gansow, L E Top, P Perentesis, J C Reynolds, D L Nelson, T A Waldmann. Similarities and differences in 111In- and 90Y-labeled 1B4M-DTPA antiTac monoclonal antibody distribution. Journal of nuclear medicine : official publication, Society of Nuclear Medicine. 1999 Feb; 40(2):268-76. doi: NULL. [PMID: 10025834]
  • H Kobayashi, C Wu, M K Kim, C H Paik, J A Carrasquillo, M W Brechbiel. Evaluation of the in vivo biodistribution of indium-111 and yttrium-88 labeled dendrimer-1B4M-DTPA and its conjugation with anti-Tac monoclonal antibody. Bioconjugate chemistry. 1999 Jan; 10(1):103-11. doi: 10.1021/bc980091d. [PMID: 9893971]
  • E L Kramer, L Liebes, C Wasserheit, M E Noz, E W Blank, A Zabalegui, J Melamed, P Furmanski, J A Peterson, R L Ceriani. Initial clinical evaluation of radiolabeled MX-DTPA humanized BrE-3 antibody in patients with advanced breast cancer. Clinical cancer research : an official journal of the American Association for Cancer Research. 1998 Jul; 4(7):1679-88. doi: NULL. [PMID: 9676842]
  • J Lee, K Garmestani, C Wu, M W Brechbiel, H K Chang, C W Choi, O A Gansow, J A Carrasquillo, C H Paik. In vitro and in vivo evaluation of structure-stability relationship of 111In- and 67Ga-labeled antibody via 1B4M or C-NOTA chelates. Nuclear medicine and biology. 1997 Apr; 24(3):225-30. doi: 10.1016/s0969-8051(97)00056-5. [PMID: 9228656]
  • L Camera, S Kinuya, K Garmestani, M W Brechbiel, C Wu, L H Pai, T J McMurry, O A Gansow, I Pastan, C H Paik. Comparative biodistribution of indium- and yttrium-labeled B3 monoclonal antibody conjugated to either 2-(p-SCN-Bz)-6-methyl-DTPA (1B4M-DTPA) or 2-(p-SCN-Bz)-1,4,7,10-tetraazacyclododecane tetraacetic acid (2B-DOTA). European journal of nuclear medicine. 1994 Jul; 21(7):640-6. doi: 10.1007/bf00285586. [PMID: 7957350]
  • L Camera, S Kinuya, K Garmestani, C Wu, M W Brechbiel, L H Pai, T J McMurry, O A Gansow, I Pastan, C H Paik. Evaluation of the serum stability and in vivo biodistribution of CHX-DTPA and other ligands for yttrium labeling of monoclonal antibodies. Journal of nuclear medicine : official publication, Society of Nuclear Medicine. 1994 May; 35(5):882-9. doi: NULL. [PMID: 8176477]
  • E L Kramer, S J DeNardo, L Liebes, L A Kroger, M E Noz, H Mizrachi, Q A Salako, P Furmanski, S D Glenn, G L DeNardo. Radioimmunolocalization of metastatic breast carcinoma using indium-111-methyl benzyl DTPA BrE-3 monoclonal antibody: phase I study. Journal of nuclear medicine : official publication, Society of Nuclear Medicine. 1993 Jul; 34(7):1067-74. doi: NULL. [PMID: 8315480]
  • M E Izard, G R Boniface, K L Hardiman, M W Brechbiel, O A Gansow, K Z Walkers. An improved method for labeling monoclonal antibodies with samarium-153: use of the bifunctional chelate 2-(p-isothiocyanatobenzyl)-6- methyldiethylenetriaminepentaacetic acid. Bioconjugate chemistry. 1992 Jul; 3(4):346-50. doi: 10.1021/bc00016a015. [PMID: 1390991]