methyl 4-[2-(isopropylamino)-2-oxoethoxy]-3-methoxybenzoate

• 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: methyl 4-[2-(isopropylamino)-2-oxoethoxy]-3-methoxybenzoate
• 英文别名: Methyl 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
• 化学式: C₁₄H₁₉NO₅
• 分子量: 281.309
• InChiKey: RBXSSFKGSHQNPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-[2-(isopropylamino)-2-oxoethoxy]-3-methoxybenzoate 在 一水合肼 作用下， 以 甲醇 为溶剂， 以50 %的产率得到2-[4-(hydrazinecarbonyl)-2-methoxy-phenoxy]-N-isopropyl-acetamide
  参考文献：
  名称：

  [EN] ROCK2 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE ROCK2 ET LEURS UTILISATIONS

  摘要：

  The present disclosure provides compounds of Formula (I) and (II), which may be R0CK2 inhibitors. The present disclosure also provides pharmaceutical compositions and kits comprising the compounds, and methods of treating or preventing diseases and disorders associated with R0CK2 (e.g., fibrotic disease, autoimmune disease, inflammatory-fibrotic condition, inflammatory condition, edema, ophthalmic disease, cardiovascular disease, central nervous system disorder, cancer) by administering to a subject in need thereof the compounds or pharmaceutical compositions.

  公开号：

  WO2023009475A1
• 作为产物：
  描述：

  methyl 4-(2-tert-butoxy-2-oxo-ethoxy)-3-methoxy-benzoate 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 4-[2-(isopropylamino)-2-oxoethoxy]-3-methoxybenzoate
  参考文献：
  名称：

  [EN] ROCK2 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE ROCK2 ET LEURS UTILISATIONS

  摘要：

  The present disclosure provides compounds of Formula (I) and (II), which may be R0CK2 inhibitors. The present disclosure also provides pharmaceutical compositions and kits comprising the compounds, and methods of treating or preventing diseases and disorders associated with R0CK2 (e.g., fibrotic disease, autoimmune disease, inflammatory-fibrotic condition, inflammatory condition, edema, ophthalmic disease, cardiovascular disease, central nervous system disorder, cancer) by administering to a subject in need thereof the compounds or pharmaceutical compositions.

  公开号：

  WO2023009475A1

文献信息

• [EN] HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE<br/>[FR] TRIAZOLES SUBSTITUÉS PAR HÉTÉROCYCLYLAMINO UTILISÉS EN TANT QUE MODULATEURS DE LA PROTÉINE KINASE ASSOCIÉE À RHO
  申请人：REDX PHARMA PLC

  公开号：WO2019145729A9

  公开（公告）日：2020-07-30
• HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE
  申请人：Redx Pharma Plc

  公开号：EP3743420A1

  公开（公告）日：2020-12-02
• Modulators of Rho-associated Protein Kinase
  申请人：RedX Pharma PLC

  公开号：US20210038606A1

  公开（公告）日：2021-02-11

  This invention relates to novel compounds and pharmaceutical compositions comprising the same. Compounds of the invention useful as modulators of Rho-associated protein kinase (ROCK), for example ROCK1 and/or ROCK2 inhibitors. Methods of treatment employing the compounds are also contemplated by the present invention. The compounds of the invention are useful in treating ROCK mediated diseases.
• [EN] ROCK2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE ROCK2 ET LEURS UTILISATIONS
  申请人：[en]PRESIDENT AND FELLOWS OF HARVARD COLLEGE

  公开号：WO2023009475A1

  公开（公告）日：2023-02-02

  The present disclosure provides compounds of Formula (I) and (II), which may be R0CK2 inhibitors. The present disclosure also provides pharmaceutical compositions and kits comprising the compounds, and methods of treating or preventing diseases and disorders associated with R0CK2 (e.g., fibrotic disease, autoimmune disease, inflammatory-fibrotic condition, inflammatory condition, edema, ophthalmic disease, cardiovascular disease, central nervous system disorder, cancer) by administering to a subject in need thereof the compounds or pharmaceutical compositions.