2-(4-(4-methyloxazol-5-yl)phenyl)acetic acid | 953780-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(4-methyloxazol-5-yl)phenyl)acetic acid
• 英文别名: [4-(4-methyl-1,3-oxazol-5-yl)phenyl]acetic acid；2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]acetic acid
• CAS: 953780-62-6
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.224
• InChiKey: UPDAIYRPILEIPU-UHFFFAOYSA-N

物化性质

• 沸点：
  379.5±30.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-1-(5-(trifluoromethyl)pyridin-3-yl)pyrrolidin-3-amine 、 2-(4-(4-methyloxazol-5-yl)phenyl)acetic acid 生成 (R)-2-(4-(4-methyloxazol-5-yl)phenyl)-N-(1-(5-(trifluoromethyl)pyridin-3-yl)pyrrolidin-3-yl)acetamide
  参考文献：
  名称：

  USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS

  摘要：

  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。

  公开号：

  EP3950059A1
• 作为产物：
  描述：

  4-甲基-1,3-噁唑-5-甲酸 、 对溴苯乙酸 在 二(三叔丁基膦)钯 四丁基氯化铵 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以24%的产率得到2-(4-(4-methyloxazol-5-yl)phenyl)acetic acid
  参考文献：
  名称：

  WO2007/120729

  摘要：

  公开号：

文献信息

• Pyridyl Amide T-Type Calcium Channel Antagonists
  申请人：Barrow James C.

  公开号：US20090275550A1

  公开（公告）日：2009-11-05

  The present invention is directed to pyridyl amide compounds which are antagonists of T-type calcium channels, and which are useful in the treatment or prevention of disorders and diseases in which T-type calcium channels are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which T-type calcium channels are involved.

  本发明涉及对T型钙通道具有拮抗作用的吡啶酰胺化合物，其在治疗或预防与T型钙通道有关的疾病和疾病中具有用途。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗与T型钙通道有关的疾病的用途。
• Pyridyl amide T-type calcium channel antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07875636B2

  公开（公告）日：2011-01-25

  The present invention is directed to pyridyl amide compounds which are antagonists of T-type calcium channels, and which are useful in the treatment or prevention of disorders and diseases in which T-type calcium channels are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which T-type calcium channels are involved.

  本发明涉及吡啶酰胺类化合物，其是T型钙通道的拮抗剂，适用于治疗或预防涉及T型钙通道的疾病和疾病。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及T型钙通道的疾病中使用这些化合物和组合物。
• Short-Acting T-Type Calcium Channel Antagonists Significantly Modify Sleep Architecture in Rodents
  作者：Zhi-Qiang Yang、Kelly-Ann S. Schlegel、Youheng Shu、Thomas S. Reger、Rowena Cube、Christa Mattern、Paul J. Coleman、Jim Small、George D. Hartman、Jeanine Ballard、Cuyue Tang、Yuhsin Kuo、Thomayant Prueksaritanont、Cindy E. Nuss、Scott Doran、Steve V. Fox、Susan L. Garson、Yuxing Li、Richard L. Kraus、Victor N. Uebele、Adekemi B. Taylor、Wei Zeng、Wei Fang、Cynthia Chavez-Eng、Matthew D. Troyer、Julie Ann Luk、Tine Laethem、William O. Cook、John J. Renger、James C. Barrow

  DOI：10.1021/ml100170e

  日期：2010.12.9

  A novel phenyl acetamide series of short-acting T-type calcium channel antagonists has been identified and evaluated using in vitro and in vivo assays. Heterocycle substitutions of the 4-position of the phenyl acetamides afforded potent and selective antagonists that exhibited desired short plasma half-lives across preclinical species. Lead compound TTA-A8 emerged as a compound with excellent in vivo

  已经使用体外和体内试验鉴定并评估了新型的短效T型钙通道拮抗剂苯基乙酰胺。苯基乙酰胺的4位杂环取代提供了有效的和选择性的拮抗剂，这些拮抗剂在临床前物种中表现出所需的短血浆半衰期。领先的化合物TTA-A8以具有出色的体内功效的化合物出现，这是由其在EEG遥测模型中对大鼠睡眠结构的显着调节，良好的药代动力学特性以及出色的临床前安全性所表明的。TTA-A8最近进入了人类临床试验，并且与我们的预测一致，以20 mg口服剂量进行的初步研究（n = 12）提供的最高C max为1.82 +/- 0.274μM，表观终末半衰期为3.0 +/- 1.1小时
• 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。
• PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP2010493A2

  公开（公告）日：2009-01-07