trans-2-(benzo[d]oxazol-2-yl)cyclopropane-1-carboxylic acid | 1142214-36-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: trans-2-(benzo[d]oxazol-2-yl)cyclopropane-1-carboxylic acid
• 英文别名: 2-(1,3-Benzoxazol-2-yl)cyclopropanecarboxylic acid；2-(1,3-benzoxazol-2-yl)cyclopropane-1-carboxylic acid
• CAS: 1142214-36-5
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: ZZTHDEKCVGNAJD-UHFFFAOYSA-N

物化性质

• 沸点：
  397.4±35.0 °C(Predicted)
• 密度：
  1.453±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  (R)-1-(5-(trifluoromethyl)pyridin-3-yl)pyrrolidin-3-amine 、 trans-2-(benzo[d]oxazol-2-yl)cyclopropane-1-carboxylic acid 在 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 N,N-二甲基甲酰胺 为溶剂， 以2%的产率得到(1R,2R)-2-(benzo[d]oxazol-2-yl)-N-((R)-1-(5-(trifluoromethyl)pyridin-3-yl)pyrrolidin-3-yl)cyclopropane-1-carboxyamide
  参考文献：
  名称：

  EP3825303

  摘要：

  公开号：

文献信息

• USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3950059A1

  公开（公告）日：2022-02-09

  A medicament for treating or preventing pruritus is provided. For the medicament for treating or preventing pruritus, a compound having a blocking action on Cav3.2T-type calcium channels represented by General Formulas (I) to (VI), a tautomer of the compound, a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof is used as an active ingredient.

  提供一种用于治疗或预防瘙痒的药物。用于治疗或预防瘙痒的药物中，使用具有对Cav3.2T型钙通道具有阻断作用的化合物，该化合物以一般式(I)至(VI)表示，该化合物的互变异构体、立体异构体、其药用可接受的盐或其溶剂为活性成分。
• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3404021A1

  公开（公告）日：2018-11-21

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.

  由以下通式（I）代表的化合物、该化合物的同系物或立体异构体、其药学上可接受的盐或其溶液可用作电压依赖性 T 型钙通道阻滞剂： 其中 A 代表可具有取代基的融合环，该融合环由 5 元杂芳基或 5 元或 6 元杂环和苯环或类似物组成，5 元杂芳基具有 1 至 3 个相同或不同的杂原子作为成环元素，具有至少一个取代基，例如具有 1 至 8 个碳原子并被 1 至 5 个卤素原子取代的烷氧基；R 代表氢原子或类似物；B 代表 CR5(Q1) 或 NQ2，其中 Q1 代表可能具有取代基的苯并咪唑基；Q2 代表可能具有取代基的具有 1 至 8 个碳原子的烷基、可能具有取代基的杂芳基或类似物；R0、R1、R2、R3、R4 和 R5 各代表氢原子或类似物；n 和 m 各代表 0、1 或 2，但 n 和 m 不能同时为 0 和 2。
• T-TYPE CALCIUM CHANNEL BLOCKER
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3825303A1

  公开（公告）日：2021-05-26

  To provide a novel T-type calcium channel blocker. A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt of the compound, or a solvate of the compound, the tautomer, the stereoisomer, or the salt is used as a T-type calcium channel blocker. wherein A represents a phenyl which may have a substituent, a 4-membered to 6-membered heteroaryl ring composed of one to three identical or different heteroatoms selected from an oxygen atom, a sulfur atom, and a nitrogen atom and carbon atoms as ring-constituting atoms, or a heterocondensed ring composed of the heteroaryl ring and either a benzene ring or a 6-membered heteroaryl ring composed of one to two nitrogen atoms and carbon atoms, wherein the heteroaryl ring or the heterocondensed ring may have a substituent and is bonded to a nitrogen atom of the adjacent cyclic amino by means of a carbon atom constituting these rings; B represents a phenyl which may have a substituent, a 5-membered or 6-membered heteroaryl ring composed of one to three identical or different heteroatoms selected from an oxygen atom, a sulfur atom, and a nitrogen atom and carbon atoms as ring-constituting atoms, or a heterocondensed ring composed of the heteroaryl ring and either a benzene ring or a 6-membered heteroaryl ring composed of one to two nitrogen atoms and carbon atoms, wherein the heteroaryl ring or the heterocondensed ring may have a substituent and is bonded to the adjacent cyclopropyl ring by means of a carbon atom constituting these rings; R1 and R2, which may be identical or different, each represent a hydrogen atom, a halogen atom, or the like; R3 represents a hydrogen atom, a halogen atom, or the like; n and m, which may be identical or different, each represent 0 or 1; and p represents 1 or 2.

  提供一种新型 T 型钙通道阻滞剂。 由以下通式（I）代表的化合物、该化合物的同系物或立体异构体、该化合物的药学上可接受的盐，或该化合物、同系物、立体异构体或盐的溶液可用作 T 型钙通道阻滞剂。 其中 A 代表可能具有取代基的苯基、由 1 至 3 个相同或不同的杂原子组成的 4 元至 6 元杂芳基环，这些杂原子选自氧原子、硫原子、氮原子和碳原子作为构环原子、或由杂芳基环和苯环或由一至两个氮原子和碳原子组成的 6 元杂芳基环组成的杂缩合环，其中杂芳基环或杂缩合环可具有取代基，并通过构成这些环的碳原子与相邻环状氨基的氮原子键合； B 代表可能具有取代基的苯基、由 1 至 3 个相同或不同的杂原子组成的 5 元或 6 元杂芳基环，这些杂原子选自氧原子、硫原子、氮原子和作为构环原子的碳原子、或由杂芳环和苯环或由一至两个氮原子和碳原子组成的六元杂芳环组成的杂缩合环，其中杂芳环或杂缩合环可具有取代基，并通过构成这些环的碳原子与相邻的环丙基环键合； R1 和 R2 可以相同或不同，各自代表氢原子、卤素原子或类似物； R3 代表氢原子、卤素原子或类似原子； n 和 m 可以相同或不同，各自代表 0 或 1；p 代表 1 或 2。
• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US20190077767A1

  公开（公告）日：2019-03-14

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.
• [EN] USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS<br/>[FR] UTILISATION DE BLOQUEUR DES CANAUX CALCIQUES DE TYPE T SERVANT AU TRAITEMENT DU PRURIT<br/>[JA] 掻痒を治療するためのＴ型カルシウムチャネル阻害剤の使用
  申请人：NIPPON CHEMIPHAR CO

  公开号：WO2020203609A1

  公开（公告）日：2020-10-08

  掻痒の治療又は予防のための医薬を提供する。　掻痒に対する治療又は予防のための医薬として、一般式（Ｉ）～（ＶＩ）で表されるＣａｖ３．２Ｔ型カルシウムチャネルの阻害作用を有する化合物、該化合物の互変異性体、立体異性体、若しくはその薬学的に許容される塩又はそれらの溶媒和物を有効成分として用いる。