甲基2-甲酰基-3-噻吩羧酸酯 | 24647-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 甲基2-甲酰基-3-噻吩羧酸酯
• 英文名称: methyl 2-formyl-3-thiophenecarboxylate
• 英文别名: Methyl 2-formylthiophene-3-carboxylate
• CAS: 24647-82-3
• 化学式: C₇H₆O₃S
• mdl: MFCD01859943
• 分子量: 170.189
• InChiKey: ADAAURCEFZTYJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,6-difluoro-4-(2-methyl-2H-indazol-4-yl)phenyl)methanamine 、 甲基2-甲酰基-3-噻吩羧酸酯 在 溶剂黄146 、 三乙酰氧基硼氢化钠 作用下， 反应 2.5h， 以26%的产率得到methyl 2-(((2,6-difluoro-4-(2-methyl-2H-indazol-4-yl)benzyl)amino)methyl)thiophene-3-carboxylate
  参考文献：
  名称：

  POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1

  摘要：

  描述了肌胆碱受体M1（mAChR M1）的正向变构调节剂，包括这些化合物的药物组合物，以及使用这些化合物和组合物治疗神经系统疾病、精神疾病或二者结合的方法。

  公开号：

  US20190330226A1

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE RAS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ARAXES PHARMA LLC

  公开号：WO2018068017A1

  公开（公告）日：2018-04-12

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein A, B, R", Q, W, X, Y, Z, n1, n2and '--" are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also disclosed.

  提供了具有抑制G12C突变KRAS蛋白活性的化合物。这些化合物具有以下结构（I）：或其药学上可接受的盐、立体异构体或前药，其中A、B、R"、Q、W、X、Y、Z、n1、n2和'--'的定义如本文所述。还公开了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物以及用于调节G12C突变KRAS蛋白活性以治疗癌症等疾病的方法。
• Inhibitors of RAS and methods of use thereof
  申请人：Araxes Pharma LLC

  公开号：US10377743B2

  公开（公告）日：2019-08-13

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein A, B, R″, Q, W, X, Y, Z, n1, n2 and are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  本研究提供了具有抑制 G12C 突变 KRAS 蛋白活性的化合物。这些化合物具有以下结构 (I)： 或其药学上可接受的盐、立体异构体或原药，其中 A、B、R″、Q、W、X、Y、Z、n1、n2 和如本文所定义。还提供了与制备和使用此类化合物相关的方法、包含此类化合物的药物组合物以及调节 G12C 突变 KRAS 蛋白活性以治疗疾病（如癌症）的方法。
• PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY
  申请人：Allergan

  公开号：EP0724579A1

  公开（公告）日：1996-08-07
• DIPEPTIDYL PEPTIDASE-IV INHIBITORS
  申请人：Kroth Heiko

  公开号：US20100009961A1

  公开（公告）日：2010-01-14

  The present invention relates generally to pyrrolidine and thiazolidine DPP-IV inhibitor compounds. The present invention also provides synthetic methods for preparation of such compounds, methods of inhibiting DPP-IV using such compounds and pharmaceutical formulations containing them for treatment of DPP-IV mediated diseases, in particular, Type-2 diabetes.
• INHIBITORS OF RAS AND METHODS OF USE THEREOF
  申请人：Araxes Pharma LLC

  公开号：US20180127396A1

  公开（公告）日：2018-05-10

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein A, B, R″, Q, W, X, Y, Z, n 2 and are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

表征谱图