2-methoxy-3-mercapto-toluene | 25674-52-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 2-methoxy-3-mercapto-toluene
• 英文别名: Methyl-(6-mercapto-2-methyl-phenyl)-aether；2-Methoxy-3-methyl-phenylmercaptan；2-Methoxy-3-mercapto-toluol；2-Metossi-3-metil-tiofenolo；2-Methoxy-3-methylbenzene-1-thiol；2-methoxy-3-methylbenzenethiol
• CAS: 25674-52-6
• 化学式: C₈H₁₀OS
• 分子量: 154.233
• InChiKey: KJGSKEXBHLIWCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  10.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methoxy-3-mercapto-toluene 在 sodium hydroxide 、 potassium permanganate 、 水 、 potassium carbonate 作用下， 生成 3-methanesulfonyl-2-methoxy-benzoic acid
  参考文献：
  名称：

  321.硫醇衍生自ø - ，米- ，和p -甲氧基甲苯和苯甲酸

  摘要：

  DOI：

  10.1039/jr9330001375
• 作为产物：
  描述：

  2-甲基-6-硝基茴香醚 在 镍 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2-methoxy-3-mercapto-toluene
  参考文献：
  名称：

  Cabiddu,S. et al., Gazzetta Chimica Italiana, 1969, vol. 99, p. 1095 - 1106

  摘要：

  DOI：

文献信息

• Modulators of cystic fibrosis transmembrane conductance regulator
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US10758534B2

  公开（公告）日：2020-09-01

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R1, R2, R3, W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明的特征是一种式 I 的化合物： 或其药学上可接受的盐，其中 R1、R2、R3、W、X、Y、Z、n、o、p 和 q 在此定义，用于治疗 CFTR 介导的疾病，如囊性纤维化。本发明还包括药物组合物、治疗方法及其试剂盒。
• Na⁺ Currents in Cardioprotection: Better to Be Late
  作者：Bruno Le Grand、Christophe Pignier、Robert Létienne、Francis Colpaert、Florence Cuisiat、Françoise Rolland、Agnes Mas、Maud Borras、Bernard Vacher

  DOI：10.1021/jm900296e

  日期：2009.7.23

  We report the discovery of a selective, potent inhibitor of the late current mediated by the cardiac isoform of the sodium channel (Nav 1.5). The compound, 3,4-dihydro-N-[(2S)-3-[(2-hydroxy-3-methylphenyl)thio]-2-methylpropyl]-2H-(3R)-1,5-benzoxathiepin-3-amine (2d) (F 15741), blocks the late component of the Na+ currents and greatly reduces veratridine- or ischemia-induced contracture in isolated tissue and whole heart. The cardioprotective action of 2d was further established in a model of myocardial infarction in the pig in which 2d prevents ischemia-reperfusion damage after 60 min of coronary occlusion and 48 h reperfusion. Under these experimental conditions, only 2d and cariporide reduce infarct size. Remarkably, myocardial protection afforded by 2d occurs in the absence of hemodynamic effects. These data expand the therapeutic potential of late I-Na blockers and suggest that 2d could be useful in pathologies for which pharmacological treatments are not yet available.
• MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20190269683A1

  公开（公告）日：2019-09-05

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.
• 321. Thiols derived from o-, m-, and p-methoxy-toluenes and -benzoic acids
  作者：Madhavlal S. Shah、Chinubhai T. Bhatt、Darab D. Kanga

  DOI：10.1039/jr9330001375

  日期：——
• Cabiddu,S. et al., Gazzetta Chimica Italiana, 1969, vol. 99, p. 1095 - 1106
  作者：Cabiddu,S. et al.

  DOI：——

  日期：——