2-((6-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)thio)acetic acid | 1365060-24-7

• 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: 2-((6-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)thio)acetic acid
• 英文别名: 2-(6-Chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylacetic acid
• CAS: 1365060-24-7
• 化学式: C₉H₇ClN₂O₂S₂
• 分子量: 274.752
• InChiKey: CFQQWZICYFNHKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-((6-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)thio)acetic acid
  参考文献：
  名称：

  Stimulation of cortical bone formation with thienopyrimidine based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienopyrimidine inhibitors of Notum Pectinacetylesterase are described. We explored both 2-((5,6-thieno[2,3-d]pyrimidin-4-yl)thio)acetic acids and 2-((6,7-thieno[3,2-d]pyrimidin-4-yl)thio)acetic acids. In both series, highly potent, orally active Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.02.021

文献信息

• INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE
  申请人：BARBOSA Joseph

  公开号：US20120065200A1

  公开（公告）日：2012-03-15

  Compounds are disclosed for the treatment, management and prevention of diseases and disorders affecting the bone. Particular compounds are potent inhibitors of Notum Pectinacetylesterase, and are of the formula: wherein E, G, Y, Z, R 1 , R 2 , and R 3 are defined herein.

  揭示了用于治疗、管理和预防影响骨骼的疾病和紊乱的化合物。特定的化合物是Notum果胶乙酰酶的强效抑制剂，化学结构如下：其中E、G、Y、Z、R1、R2和R3如本文所定义。
• [EN] INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE LA NOTUM PECTINE ACÉTYLESTÉRASE ET PROCÉDÉS POUR LEUR UTILISATION
  申请人：LEXICON PHARMACEUTICALS INC

  公开号：WO2012037141A1

  公开（公告）日：2012-03-22

  Compounds are disclosed for the treatment, management and prevention of diseases and disorders affecting the bone. Particular compounds are potent inhibitors of Notum Pectinacetylesterase, and are of the formula: wherein E, G, Y, Z, R1, R2, and R3 are defined herein.