1-[1-{4-chloro-4'-[4-(2-methylpropyl)piperazin-1-yl] [1,1'-biphenyl]-2-yl}piperidin-3-yl]-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid | 2781965-75-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[1-{4-chloro-4'-[4-(2-methylpropyl)piperazin-1-yl] [1,1'-biphenyl]-2-yl}piperidin-3-yl]-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid
• 英文别名: Nurandociguat；1-[(3R)-1-[5-chloro-2-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
• CAS: 2781965-75-9
• 化学式: C₃₀H₃₆ClF₂N₅O₂
• 分子量: 572.098
• InChiKey: KNGOFJLMZYHAGD-XMMPIXPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-[1-{4-chloro-4'-[4-(2-methylpropyl)piperazin-1-yl] [1,1'-biphenyl]-2-yl}piperidin-3-yl]-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid 在 盐酸 作用下， 以 乙醚 为溶剂， 以100%的产率得到1-[1-{4-chloro-4'-[4-(2-methylpropyl)piperazin-1-yl][1,1'-biphenyl]-2-yl}piperidin-3-yl]-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid hydrochloride
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS
  [FR] ACIDES PYRAZOLO PIPÉRIDINE CARBOXYLIQUES SUBSTITUÉS

  摘要：

  BHC201062 FC - 126 - Substituted pyrazolo piperidine carboxylic acids A b s t r a c t The invention relates to substituted pyrazolo piperidine carboxylic acids, their salts and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular and cardiac diseases, preferably heart failure with reduced and preserved ejection fraction (HFrEF, HFmrEF and HFpEF), hypertension (HTN), peripheral arterial diseases (PAD, PAOD), cardio-renal and kidney diseases, preferably chronic and diabetic kidney disease (CKD and DKD), cardiopulmonary and lung diseases, preferable pulmonary hypertension (PH), and other diseases, preferably neurodegenerative diseases and different forms of dementias, fibrotic diseases, systemic sclerosis (SSc), sickle cell disease (SCD), wound healing disorders such as diabetic foot ulcer (DFU).

  公开号：

  WO2022122910A1
• 作为产物：
  描述：

  ethyl 1-[1-{4-chloro-4'-[4-(2-methylpropyl)piperazin-1-yl] [1,1'-biphenyl]-2-yl}piperidin-3-yl]-5-(difluoromethyl)-1H-pyrazole-4-carboxylate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以90%的产率得到1-[1-{4-chloro-4'-[4-(2-methylpropyl)piperazin-1-yl] [1,1'-biphenyl]-2-yl}piperidin-3-yl]-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS
  [FR] ACIDES PYRAZOLO PIPÉRIDINE CARBOXYLIQUES SUBSTITUÉS

  摘要：

  BHC201062 FC - 126 - Substituted pyrazolo piperidine carboxylic acids A b s t r a c t The invention relates to substituted pyrazolo piperidine carboxylic acids, their salts and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular and cardiac diseases, preferably heart failure with reduced and preserved ejection fraction (HFrEF, HFmrEF and HFpEF), hypertension (HTN), peripheral arterial diseases (PAD, PAOD), cardio-renal and kidney diseases, preferably chronic and diabetic kidney disease (CKD and DKD), cardiopulmonary and lung diseases, preferable pulmonary hypertension (PH), and other diseases, preferably neurodegenerative diseases and different forms of dementias, fibrotic diseases, systemic sclerosis (SSc), sickle cell disease (SCD), wound healing disorders such as diabetic foot ulcer (DFU).

  公开号：

  WO2022122910A1

文献信息

• [EN] THE USE OF SGC ACTIVATORS FOR THE TREATMENT OF OPHTHALMOLOGIC DISEASES<br/>[FR] UTILISATION D'ACTIVATEURS DE SGC POUR LE TRAITEMENT DE MALADIES OPHTALMOLOGIQUES
  申请人：[en]BAYER AKTIENGESELLSCHAFT

  公开号：WO2022122917A1

  公开（公告）日：2022-06-16

  The invention relates to substituted pyrazolo piperidine carboxylic acids, their salts and their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular of ophthalmologic diseases, including non-proliferative diabetic retinopathy (NPDR), diabetic macular edema (DME), retinal ganglion cell/photoreceptor neurodegeneration and cataract.