2-Bromo-4-chloro-5-methoxybenzene-1-sulfonylchloride | 2241141-92-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Bromo-4-chloro-5-methoxybenzene-1-sulfonylchloride
• 英文别名: 2-bromo-4-chloro-5-methoxybenzenesulfonyl chloride
• CAS: 2241141-92-2
• 化学式: C₇H₅BrCl₂O₃S
• 分子量: 319.99
• InChiKey: WIGBRUWDFDUOQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Bromo-4-chloro-5-methoxybenzene-1-sulfonylchloride 在 lithium hydroxide monohydrate 、 三乙胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.5h， 生成 N-(bicyclo[1.1.1]pent-1-yl)(R)-2-(2-bromo-4-chloro-5-methoxyphenylsulfonylamino)hexanamide
  参考文献：
  名称：

  3-((1,1-DIOXIDO-2,3,4,5-TETRAHYDROBENZO[F][1,2,5]THIADIAZEPIN-8-YL)OXY)-2-FLUOROACRYLIC ACID DERIVATIVES AS SODIUM TAUROCHOLATE CO-TRANSPORTING POLYPEPTIDE (NTCP) INHIBITORS FOR THE TREATMENT OF CHOLESTASIS

  摘要：

  Described herein are compounds of formula (A) and pharmaceutically acceptable forms thereof that are potent inhibitors of the sodium taurocholate co-transporting polypeptide (NTCP), pharmaceutical compositions comprising compounds of formula (A) and pharmaceutically acceptable salts thereof, as well as the compounds of formula (A) for use in methods of medical treatment of e.g. e.g. cholestasis, hepatitis, liver cirrhosis, liver failure and hepatocellular carcinoma. Preferred compounds are e.g. 3-((l,l-dioxido-2,3,4,5- tetrahydrobenzo[f][l,2,5]thiadiazepin-8-yl)oxy)-2-fluoroacrylic acid derivatives.

  公开号：

  WO2024163962A1
• 作为产物：
  描述：

  2-bromo-4-chloro-5-methoxyaniline 在 盐酸 、 三氟乙酸 、 sodium nitrite 、 硫酸 、 溶剂黄146 、 copper(l) chloride 、 copper dichloride 作用下， 以 水 为溶剂， 生成 2-Bromo-4-chloro-5-methoxybenzene-1-sulfonylchloride
  参考文献：
  名称：

  3-((1,1-DIOXIDO-2,3,4,5-TETRAHYDROBENZO[F][1,2,5]THIADIAZEPIN-8-YL)OXY)-2-FLUOROACRYLIC ACID DERIVATIVES AS SODIUM TAUROCHOLATE CO-TRANSPORTING POLYPEPTIDE (NTCP) INHIBITORS FOR THE TREATMENT OF CHOLESTASIS

  摘要：

  Described herein are compounds of formula (A) and pharmaceutically acceptable forms thereof that are potent inhibitors of the sodium taurocholate co-transporting polypeptide (NTCP), pharmaceutical compositions comprising compounds of formula (A) and pharmaceutically acceptable salts thereof, as well as the compounds of formula (A) for use in methods of medical treatment of e.g. e.g. cholestasis, hepatitis, liver cirrhosis, liver failure and hepatocellular carcinoma. Preferred compounds are e.g. 3-((l,l-dioxido-2,3,4,5- tetrahydrobenzo[f][l,2,5]thiadiazepin-8-yl)oxy)-2-fluoroacrylic acid derivatives.

  公开号：

  WO2024163962A1