2-Phenylacetylamino-5-ethyl-1,3,4-thiadiazole | 313251-98-8

• 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: 2-Phenylacetylamino-5-ethyl-1,3,4-thiadiazole
• 英文别名: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
• CAS: 313251-98-8
• 化学式: C₁₂H₁₃N₃OS
• mdl: MFCD01017986
• 分子量: 247.321
• InChiKey: PGVVRAWSXCVVPY-UHFFFAOYSA-N

物化性质

• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-dimethylformide 、 2-Phenylacetylamino-5-ethyl-1,3,4-thiadiazole 、 N-(三苯基甲基)-5-(4'-溴甲基联苯-2-基)四氮唑 生成 2-Phenylacetylimino-5-ethyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl-1,3,4-thiadiazoline
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME
  申请人：WAKUNAGA SEIYAKU KABUSHIKI KAISHA

  公开号：EP0656355A1

  公开（公告）日：1995-06-07

  A biphenylmethane derivative represented by general formula (I), a salt thereof, and a remedy for circulatory system diseases containing the same, wherein A represents the group (II) or (III) wherein R¹ represents hydrogen, lower alkyl, lower cycloalkyl, optionally substituted phenyl, optionally substituted aralkyl, optionally substituted acyl, or amino acid residue; X represents oxygen or sulfur; Y represents nitrogen or =CR²-; Z represents oxygen, nitrogen or =CR³- (excluding the case where both of Y and Z represent nitrogen simultaneously); R² and R³ represent each independently hydrogen, halogen, optionally substituted lower alkyl, optionally protected carboxyl, lower cycloalkyl, lower alkenyl, lower alkoxy, lower alkylthio or aryl, or alternatively R², R³ and the adjacent carbon atoms may be combined together to form an optionally substituted benzene ring; and B represents cyano, optionally protected carboxyl or optionally protected tetrazol-5-yl. This compound has such potent angiotensin II antagonism and hypotensive effect that it is useful for treating circulatory system diseases such as hypertension, cardiac diseases and cerebral apoplexy.

  通式(I)代表的联苯甲烷衍生物、其盐和含有该衍生物的治疗循环系统疾病的药物，其中A代表基团(II)或(III)，其中R¹代表氢、低级烷基、低级环烷基、任选取代的苯基、任选取代的芳烷基、任选取代的酰基或氨基酸残基；X代表氧或硫；Y代表氮或＝CR²-；Z 代表氧、氮或 =CR³-（不包括 Y 和 Z 同时代表氮的情况）；R² 和 R³ 各自独立地代表氢、卤素、任选取代的低级烷基、任选保护的羧基、低级环烷基、低级烯基、低级烷氧基、低级烷硫基或芳基，或者 R²、R³ 和相邻碳原子可以结合在一起形成任选取代的苯环；B 代表氰基、任选保护的羧基或任选保护的四唑-5-基。该化合物具有很强的血管紧张素 II 拮抗和降压作用，可用于治疗高血压、心脏病和脑中风等循环系统疾病。
• HETEROCYCLIC INHIBITORS OF GLUTAMINASE
  申请人：Calithera Biosciences, Inc.

  公开号：US20170369485A1

  公开（公告）日：2017-12-28

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treatment using the novel heterocyclic compounds of the invention.
• US5654322A
  申请人：——

  公开号：US5654322A

  公开（公告）日：1997-08-05
• US9938267B2
  申请人：——

  公开号：US9938267B2

  公开（公告）日：2018-04-10