1,2,3,4-Tetrahydro-2-naphthalenyl N-(5-methyl-3-phenyl-4-isoxazolyl)carbamate | 355025-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1,2,3,4-Tetrahydro-2-naphthalenyl N-(5-methyl-3-phenyl-4-isoxazolyl)carbamate
• 英文别名: 1,2,3,4-tetrahydronaphthalen-2-yl N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
• CAS: 355025-00-2
• 化学式: C₂₁H₂₀N₂O₃
• 分子量: 348.401
• InChiKey: GENOHFAMPHVTMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Novel isoxazole and thiazole compounds and use thereof as drugs
  申请人：——

  公开号：US20030114505A1

  公开（公告）日：2003-06-19

  The present invention relates to novel isoxazole and thiazole compounds having an excellent lysophosphatidic acid (LPA) receptor antagonistic activity represented by general formula [1] or salts thereof: 1 wherein R1 and R2 represents an optionally substituted alkyl group or the like; R3 represents a hydrogen atom or the like; R4 represent a group selected from the group consisting of (I) optionally substituted phenyl, aryl, or heterocycle, (II) substituted or nonsubstituted alkyl, and (III) substituted or nonsubstituted alkenyl, alternatively, R3 and R4 may form a ring structure together with a carbon atom to which they bind; and X represents an oxygen atom or a sulfur atom, provided that, when R3 is a hydrogen atom, R4 represents a group other than methyl, and the use thereof as a medicine.

  本发明涉及一种新型异噁唑和噻唑化合物，其具有优异的溶血磷脂酸（LPA）受体拮抗活性，通式为[1]或其盐：其中，R1和R2代表可选取代的烷基或类似物；R3代表氢原子或类似物；R4代表从（I）可选取代的苯基、芳基或杂环基，（II）取代或未取代的烷基，以及（III）取代或未取代的烯基中选择的基团，或者R3和R4可以与它们所结合的碳原子一起形成环状结构；X代表氧原子或硫原子，前提是当R3是氢原子时，R4代表甲基以外的基团，以及其作为药物的用途。
• NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP1258484B1

  公开（公告）日：2009-01-14
• US6964975B2
  申请人：——

  公开号：US6964975B2

  公开（公告）日：2005-11-15