(3E)-5-{4-[(3-chloro-4-fluorophenyl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl}-5-oxopent-3-en-1-ol | 951034-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: (3E)-5-{4-[(3-chloro-4-fluorophenyl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl}-5-oxopent-3-en-1-ol
• 英文别名: (E)-1-[3-(3-chloro-4-fluoroanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-5-hydroxypent-2-en-1-one
• CAS: 951034-74-5
• 化学式: C₂₀H₁₈ClFN₄O₂S
• 分子量: 432.906
• InChiKey: OWEQKHPBNWFZTA-HNQUOIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF
  申请人：AJINOMOTO CO., LTD.

  公开号：US20150051395A1

  公开（公告）日：2015-02-19

  Provided are sulfonamide derivatives of a specific chemical structure in which a sulfonamide group having, as a substituent, a phenyl group or a heterocyclic group having a hetero atom(s) as a constituent element(s) is present at its terminal, and pharmaceutically acceptable salts thereof. These compounds are novel compounds having excellent α4 integrin-inhibitory action.

  提供的是具有特定化学结构的磺酰胺衍生物，在其末端有一个带有苯基或含杂原子的杂环基团作为取代基的磺酰胺基团，以及药用可接受的盐。这些化合物是具有卓越的α4整合素抑制作用的全新化合物。
• SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Ajinomoto Co., Inc.

  公开号：US20160244451A1

  公开（公告）日：2016-08-25

  Provided is a sulfonamide derivative represented by the following general formula (1) and having an α4 integrin inhibitory effect with high selectivity with a low effect on α4β1 and a high effect on α4β7, or a pharmaceutically acceptable salt thereof (in the general formula (1), A, B, D, E, R 41 , and a to h are as described in the description).

  提供的是一种磺酰胺衍生物，其具有以下通式(1)表示，并具有对α4整合素抑制效果的高选择性，对α4β1影响小，对α4β7影响大，或其药用可接受盐（在通式(1)中，A、B、D、E、R 41 和a至h如描述中所述）。
• Iminooxazolidine Derivatives and Their Use
  申请人：Rohrig Susanne

  公开号：US20100004292A1

  公开（公告）日：2010-01-07

  The present application relates to novel iminooxazolidine derivatives, to processes for their preparation, to their use for the treatment and/or prophylaxis of diseases and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular thromboembolic disorders.

  本申请涉及新型亚胺噁唑啉衍生物，其制备方法，其用于治疗和/或预防疾病的用途，以及其用于制备治疗和/或预防疾病的药物，特别是血栓栓塞性疾病。
• Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof
  申请人：Zhang Chengzhi

  公开号：US20100298297A1

  公开（公告）日：2010-11-25

  This invention relates to compounds of Formula (I), wherein the variables are as disclosed in the specification, to pharmaceutical compositions containing them, to methods of making the compounds and pharmaceutical compositions, and to methods of using the compounds and pharmaceutical compositions for treating or preventing disorders, in particular cancer.

  这项发明涉及到式（I）化合物，其中变量如规范中所披露的，以及包含它们的药物组合物，制备这些化合物和药物组合物的方法，以及使用这些化合物和药物组合物用于治疗或预防疾病的方法，特别是癌症。
• TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2001890B1

  公开（公告）日：2011-01-12