4-氯-2-环丙基嘧啶-5-羧酸乙酯 | 1044770-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氯-2-环丙基嘧啶-5-羧酸乙酯
• 英文名称: ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate
• CAS: 1044770-40-2
• 化学式: C₁₀H₁₁ClN₂O₂
• 分子量: 226.663
• InChiKey: TVSRPYXFKHJLDU-UHFFFAOYSA-N

物化性质

• 沸点：
  326.1±22.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-氯-2-环丙基嘧啶-5-羧酸乙酯 在 肼 作用下， 以 氯仿 为溶剂， 生成 2-Cyclopropyl-4-(3-methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  2-环丙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯 在 三氯氧磷 作用下， 生成 4-氯-2-环丙基嘧啶-5-羧酸乙酯
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7

文献信息

• [EN] 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS<br/>[FR] 2-AMINO-N-PHÉNYL-NICOTINAMIDES UTILISÉS EN TANT QU'INHIBITEURS DE NAV1.8
  申请人：MERCK SHARP & DOHME

  公开号：WO2020092187A1

  公开（公告）日：2020-05-07

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are inhibitors of Nav1.8 channel activity and may be useful in the treatment, prevention, management, amelioration, control and suppression of diseases mediated by Nav1.8 channel activity. The compounds of the present invention may be useful in the treatment, prevention or management of pain disorders, cough disorders, acute itch disorders, and chronic itch disorders.

  结构式（I）的新化合物及其药用盐是Nav1.8通道活性的抑制剂，可能在治疗、预防、管理、改善、控制和抑制由Nav1.8通道活性介导的疾病方面有用。本发明的化合物可能在治疗、预防或管理疼痛障碍、咳嗽障碍、急性瘙痒障碍和慢性瘙痒障碍方面有用。
• 取代哌啶化合物及其制备方法和应用
  申请人：上海方予健康医药科技有限公司

  公开号：CN117865941A

  公开（公告）日：2024-04-12

  本发明涉及取代哌啶化合物及其制备方法和应用，所述取代哌啶化合物具有下式（I）的通式：#imgabs0#其中，R1、R2、R3、R4、R5、A、X、n如说明书所定义。本发明的化合物在预防和/或治疗与肾素/RAAS活性相关的疾病，如高血压、心血管疾病、糖尿病、肾病，慢性炎症以及心力衰竭中有作用。
• 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3873468A1

  公开（公告）日：2021-09-08
• WO2023/172475
  申请人：——

  公开号：——

  公开（公告）日：——
• Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate
  作者：Moorthy S.S Palanki、Paul E Erdman、Anthony M Manning、Arnold Ow、Lynn J Ransone、Cheryl Spooner、Carla Suto、Mark Suto

  DOI：10.1016/s0960-894x(00)00312-7

  日期：2000.8

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.