2-(4-氯苯基)-4-甲基-5-噻唑乙酸 | 17969-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-氯苯基)-4-甲基-5-噻唑乙酸
• 英文名称: 2-(p-Chlorphenyl)-4-methyl-5-carboxymethylthiazol
• 英文别名: [2-(4-chloro-phenyl)-4-methyl-thiazol-5-yl]-acetic acid；2-[2-(4-chlorophenyl)-4-methylthiazol-5-yl]acetic acid；2-(p-Chlorophenyl)-4-methyl-5-thiazoleacetic acid；2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
• CAS: 17969-41-4
• 化学式: C₁₂H₁₀ClNO₂S
• mdl: MFCD01681610
• 分子量: 267.736
• InChiKey: PQLZUIFGDGNALU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 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：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  2-(4-氯苯基)-4-甲基-5-噻唑乙酸 在 N-甲基吗啉 、 盐酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(piperidin-3-yl)-2-[2-(4-chlorophenyl)-4-methylthiazol-5-yl] acetamide
  参考文献：
  名称：

  Discovery of cyclic amine-substituted benzoic acids as PPARα agonists

  摘要：

  A series of novel cyclic amine-substituted benzoic acid derivatives were synthesized and evaluated for their PPAR alpha agonist activity. Strucure-activity relationship studies led to the identification of (S)-3-[3[2-(4-chlorophenyl)-4-methylthyazole-5-carboxamido] piperidin-1-yl] benzoic acid (S)-4f (KRP-105) as a potent and high subtype-selective human PPARa agonist. (S)-4f showed excellent PK profile and oral administration of (S)-4f to high-fat diet dogs effectively lowered triglycerides. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.002

文献信息

• [EN] NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS<br/>[FR] NOUVEAUX COMPOSES 2-ARYLTHIAZOLE UTILISES COMME AGONISTES DES RECEPTEURS PPARALPHA ET PPARGAMMA
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004020420A1

  公开（公告）日：2004-03-11

  The present invention relates to compounds of formula (I) wherein Rl to R10, X, Y and n are as defined in the description and claims, and pharmaceutically acceptable salts and esters thereof. The compounds are useful for the treatment of diseases such as diabetes.

  本发明涉及式(I)的化合物，其中R1至R10、X、Y和n如描述和权利要求中所定义，并且其药学上可接受的盐和酯。这些化合物对于治疗疾病如糖尿病是有用的。
• Thiazole derivatives
  申请人：——

  公开号：US20040110807A1

  公开（公告）日：2004-06-10

  The present invention provides compounds of formula (I) 1 wherein R 1 to R 10 , X, Y and n are indicated in the specification, and pharmaceutically acceptable salts and esters thereof. The compounds are useful for the treatment of non-insulin dependent diabetes mellitus.

  本发明提供了式(I)1的化合物，其中R1至R10、X、Y和n在规范中指定，并且其药学上可接受的盐和酯。该化合物可用于治疗非胰岛素依赖型糖尿病。
• Novel Cyclic Amino Benzoic Acid Derivative
  申请人：Nomura Masahiro

  公开号：US20070249580A1

  公开（公告）日：2007-10-25

  The present invention relates to cyclic amino benzoic acid derivatives which are effective in therapy of lipid metabolism abnormality, diabetes and the like as a human peroxisome proliferators-activated receptor (PPAR) agonist, in particular, as an agonist against human PPARα isoform, and addition salts thereof, and pharmaceutical compositions containing these compounds. A cyclic amino benzoic acid derivative represented by the general formula (1) [wherein a ring Ar represents an aryl group which may have substituent, or the like; Y represents a C 1 -C 4 alkylene, C 2 -C 4 alkenylene, C 2 -C 4 alkynylene, or the like; Z represents an oxygen atom, sulfur atom or —(CH 2 ) n — (n represents 0, 1 or 2); X represents a hydrogen atom, halogen atom, lower alkyl group which may be substituted with a halogen atom, or the like; R represents a hydrogen atom or lower alkyl group, and —COOR substitutes for an ortho position or metha position of binding position of ring W] or a pharmaceutically acceptable salt thereof.

  本发明涉及循环氨基苯甲酸衍生物，作为人类过氧化物酶体增殖物激活受体（PPAR）激动剂，在治疗脂质代谢异常、糖尿病等方面具有有效性，特别是作为人类PPARα亚型的激动剂，以及其加成盐和含有这些化合物的药物组合物。其中，循环氨基苯甲酸衍生物的一般式（1）表示为[其中，环Ar表示可能具有取代基的芳基；Y表示C1-C4烷基、C2-C4烯基、C2-C4炔基或类似物；Z表示氧原子、硫原子或—（CH2）n—（n表示0、1或2）；X表示氢原子、卤原子、可能带有卤原子取代的低烷基或类似物；R表示氢原子或低烷基，而—COOR代替环W的结合位置的邻位或间位]或其药学上可接受的盐。
• Cyclic amino benzoic acid derivative
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US07902367B2

  公开（公告）日：2011-03-08

  The present invention relates to cyclic amino benzoic acid derivatives which are effective in therapy of lipid metabolism abnormality, diabetes and the like as a human peroxisome proliferators-activated receptor (PPAR) agonist, in particular, as an agonist against human PPARα isoform, and addition salts thereof, and pharmaceutical compositions containing these compounds. A cyclic amino benzoic acid derivative represented by the general formula (1) [wherein a ring Ar represents an aryl group which may have substituent, or the like; Y represents a C1-C4 alkylene, C2-C4 alkenylene, C2-C4 alkynylene, or the like; Z represents an oxygen atom, sulfur atom or —(CH2)n— (n represents 0, 1 or 2); X represents a hydrogen atom, halogen atom, lower alkyl group which may be substituted with a halogen atom, or the like; R represents a hydrogen atom or lower alkyl group, and —COOR substitutes for an ortho position or metha position of binding position of ring W] or a pharmaceutically acceptable salt thereof.

  本发明涉及循环氨基苯甲酸衍生物，其作为人类过氧化物酶体增殖物激活受体（PPAR）激动剂在治疗脂质代谢异常、糖尿病等方面具有有效性，特别是作为人类PPARα亚型的激动剂，以及其加成盐和含有这些化合物的制药组合物。其中循环氨基苯甲酸衍生物的一般式（1）表示为[其中环Ar表示可能具有取代基的芳基基团或类似物；Y表示C1-C4烷基，C2-C4烯基，C2-C4炔基或类似物；Z表示氧原子、硫原子或—（CH2）n—（n表示0、1或2）；X表示氢原子、卤原子、可能被卤原子取代的低烷基基团或类似物；R表示氢原子或低烷基基团，而—COOR代替环W的连接位置的邻位或甲位]或其药学上可接受的盐。
• NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP1780210A1

  公开（公告）日：2007-05-02

  The present invention relates to cyclic amino benzoic acid derivatives which are effective in therapy of lipid metabolism abnormality, diabetes and the like as a human peroxisome proliferators-activated receptor (PPAR) agonist, in particular, as an agonist against human PPARα isoform, and addition salts thereof, and pharmaceutical compositions containing these compounds. A cyclic amino benzoic acid derivative represented by the general formula (1) [wherein a ring Ar represents an aryl group which may have substituent, or the like; Y represents a C1-C4 alkylene, C2-C4 alkenylene, C2-C4 alkynylene, or the like; Z represents an oxygen atom, sulfur atom or - (CH2)n- (n represents 0,1 or 2) ; X represents a hydrogen atom, halogen atom, lower alkyl group which may be substituted with a halogen atom, or the like; R represents a hydrogen atom or lower alkyl group, and -COOR substitutes for an ortho position or metha position of binding position of ring W] or a pharmaceutically acceptable salt thereof.

  本发明涉及作为人过氧化物酶体增殖激活受体（PPAR）激动剂，特别是作为人PPARα同工酶的激动剂，对脂质代谢异常、糖尿病等治疗有效的环氨基苯甲酸衍生物及其加成盐，以及含有这些化合物的药物组合物。 由通式（1）代表的环氨基苯甲酸衍生物 [其中，环 Ar 代表芳基，可具有取代基等；Y 代表 C1-C4 亚烷基、C2-C4 亚烯基、C2-C4 亚炔基等；Z 代表氧原子、硫原子或 - (CH2)n- （n 代表 0、1 或 2）；X 代表氢原子、卤素原子、可被卤素原子取代的低级烷基或类似物；R 代表氢原子或低级烷基，-COOR 取代环 W 结合位的正位或甲位]或其药学上可接受的盐。