5-methoxy-6-methylbenzo[b]thiophene-2-carboxylic acid | 58264-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 5-methoxy-6-methylbenzo[b]thiophene-2-carboxylic acid
• 英文别名: 5-Methoxy-6-methylbenzothiophen-2-carbonsaeure；5-Methoxy-6-methyl-benzo[b]thiophene-2-carboxylic acid；5-methoxy-6-methyl-1-benzothiophene-2-carboxylic acid
• CAS: 58264-68-9
• 化学式: C₁₁H₁₀O₃S
• 分子量: 222.265
• InChiKey: FFWMYYXUNCUQGH-UHFFFAOYSA-N

物化性质

• 熔点：
  277-278 °C(Solv: ethanol (64-17-5))
• 沸点：
  412.8±40.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methoxy-6-methylbenzo[b]thiophene-2-carboxylic acid 以87%的产率得到
  参考文献：
  名称：

  CAMPAIGNE E.; ABE Y., J. HETEROCYCL. CHEM. , 1975, 12, NO 5, 889-892

  摘要：

  DOI：
• 作为产物：
  描述：

  (Z)-3-(3-methoxy-4-methylphenyl)-2-sulfanylprop-2-enoic acid 以63%的产率得到
  参考文献：
  名称：

  CAMPAIGNE E.; ABE Y., J. HETEROCYCL. CHEM. , 1975, 12, NO 5, 889-892

  摘要：

  DOI：

文献信息

• [EN] FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS<br/>[FR] ANALOGUES À CYCLES CONDENSÉS D'AGENTS ANTI-FIBROTIQUES
  申请人：FIBROTECH THERAPEUTICS PTY LTD

  公开号：WO2011047432A1

  公开（公告）日：2011-04-28

  The present invention relates to arylcarbonyl and heteroarylcarbonyl anthranilate compounds that may be useful as anti-fibrotic agents. The present invention also relates to methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment disorders.

  本发明涉及可能用作抗纤维化剂的芳基羰基和杂芳基羰基蒽酰胺化合物。本发明还涉及它们的制备方法、含有这些化合物的药物组合物以及这些化合物在治疗疾病中的用途。
• BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20180093964A1

  公开（公告）日：2018-04-05

  Compounds of general formula (Ia), compounds of general formula (Ia′), compounds of general formula (Ib), compounds of general formula (Ib′), compounds of general formula (I), compounds of general formula (I′), and their pharmaceutically acceptable salts, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 8 , R 9 , X 1 , X 2 , and X 3 are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are processes for the synthesis and use of compounds of the disclosure.

  提供通式（Ia）化合物，通式（Ia′）化合物，通式（Ib）化合物，通式（Ib′）化合物，通式（I）化合物，通式（I′）化合物及其药用盐，其中R1，R2，R3，R4，R5，R6，R8，R9，X1，X2和X3在此有定义，可能作为I型干扰素产生的诱导剂，特别是作为STING活性剂有用。还提供了化合物的合成和使用的方法。
• Benzo[b]thiophene compounds as sting agonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10414747B2

  公开（公告）日：2019-09-17

  Compounds of general formula (Ia), compounds of general formula (Ia′), compounds of general formula (Ib), compounds of general formula (Ib′), compounds of general formula (I), compounds of general formula (I′), and their pharmaceutically acceptable salts, wherein R1, R2, R3, R4, R5, R6, R8, R9, X1, X2, and X3 are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are processes for the synthesis and use of compounds of the disclosure.

  通式(Ia)化合物、通式(Ia′)化合物、通式(Ib)化合物、通式(Ib′)化合物、通式(I)化合物、通式(I′)化合物、及其药学上可接受的盐类，其中 R1、R2、R3、R4、R5、R6、R8、R9、X1、X2 和 X3 在本文中定义，可用作 I 型干扰素产生的诱导剂，特别是 STING 活性剂。还提供了合成和使用本公开化合物的工艺。
• Benzo[b]thiophene compounds as STING agonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10730849B2

  公开（公告）日：2020-08-04

  Compounds of general formula (Ia), compounds of general formula (Ia′), compounds of general formula (Ib), compounds of general formula (Ib′), compounds of general formula (I), compounds of general formula (I′), and their pharmaceutically acceptable salts, wherein R1, R2, R3, R4, R5, R6, R8, R9, X1, X2, and X3 are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are processes for the synthesis and use of compounds of the disclosure.

  通式(Ia)化合物、通式(Ia′)化合物、通式(Ib)化合物、通式(Ib′)化合物、通式(I)化合物、通式(I′)化合物、及其药学上可接受的盐类，其中 R1、R2、R3、R4、R5、R6、R8、R9、X1、X2 和 X3 在本文中定义，可用作 I 型干扰素产生的诱导剂，特别是 STING 活性剂。还提供了合成和使用本公开化合物的工艺。
• [EN] BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS<br/>[FR] COMPOSÉS DE BENZO [ B ] THIOPHÈNE EN TANT QU'AGONISTES DE PIQÛRE
  申请人：MERCK SHARP & DOHME

  公开号：WO2018067423A1

  公开（公告）日：2018-04-12

  Compounds of general formula (la), compounds of general formula (la'), compounds of general formula (lb), compounds of general formula (lb'), compounds of general formula (I), compounds of general formula (Ι'), and their pharmaceutically acceptable salts, wherein R1, R2, R3, R4, R5, R6, R8, R9, X1, X2, and X3 are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are processes for the synthesis and use of compounds of the disclosure.