1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)- (BioDeep_00000838286)

   


代谢物信息卡片


1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)-

化学式: C21H27NO6 (389.18382820000005)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCNC1=CC2=C(C(=C1)O)C(=O)OC(C(C=CC(=O)C(C(CC=C2)O)O)C)C
InChI: InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1

描述信息

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

同义名列表

1 个代谢物同义名

1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)-



数据库引用编号

5 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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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)

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0 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。

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文献列表

  • Gautham Gampa, Minjee Kim, Nicholas Cook-Rostie, Janice K Laramy, Jann N Sarkaria, Linda Paradiso, Louis DePalatis, William F Elmquist. Brain Distribution of a Novel MEK Inhibitor E6201: Implications in the Treatment of Melanoma Brain Metastases. Drug metabolism and disposition: the biological fate of chemicals. 2018 05; 46(5):658-666. doi: 10.1124/dmd.117.079194. [PMID: 29437873]
  • Vipul Kumar, Edgar L Schuck, Robert D Pelletier, Nadia Farah, Krista B Condon, Meng Ye, Christopher Rowbottom, Belinda M King, Zhi-Yi Zhang, Philip L Saxton, Y Nancy Wong. Pharmacokinetic characterization of a natural product-inspired novel MEK1 inhibitor E6201 in preclinical species. Cancer chemotherapy and pharmacology. 2012 Jan; 69(1):229-37. doi: 10.1007/s00280-011-1687-8. [PMID: 21698359]
  • Masaki Goto, Jesse Chow, Kenzo Muramoto, Ken-ichi Chiba, Satoshi Yamamoto, Masanori Fujita, Hiroshi Obaishi, Kenji Tai, Yoshiharu Mizui, Isao Tanaka, Donna Young, Hua Yang, Yuan J Wang, Hiroshi Shirota, Fabian Gusovsky. E6201 [(3S,4R,5Z,8S,9S,11E)-14-(ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione], a novel kinase inhibitor of mitogen-activated protein kinase/extracellular signal-regulated kinase kinase (MEK)-1 and MEK kinase-1: in vitro characterization of its anti-inflammatory and antihyperproliferative activities. The Journal of pharmacology and experimental therapeutics. 2009 Nov; 331(2):485-95. doi: 10.1124/jpet.109.156554. [PMID: 19684251]