4-(2-环丙基乙氧基)苯甲酸 | 915016-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(2-环丙基乙氧基)苯甲酸
• 英文名称: 4-(2-cyclopropylethoxy)benzoic acid
• CAS: 915016-54-5
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: VDLMLPJGVAENTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  350.2±15.0 °C(Predicted)
• 密度：
  1.200±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-环丙基乙氧基)苯甲酸 在 N,N-二甲基甲酰胺 草酰氯 作用下， 以 四氢呋喃 为溶剂， 生成 p-(2-cyclopropylethoxy)benzoyl chloride
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND

  摘要：

  本发明提供了一种具有黑色素浓集激素受体拮抗作用和低毒性的化合物，可用作预防或治疗肥胖等疾病的药剂。本发明涉及一种由下式（I）表示的化合物：其中每个符号如规范中定义的，或其盐。

  公开号：

  EP2261213A1
• 作为产物：
  描述：

  2-环丙基乙醇 在 甲醇 、 三苯基膦 、 sodium hydroxide 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.0h， 生成 4-(2-环丙基乙氧基)苯甲酸
  参考文献：
  名称：

  Synthesis, Structure–Activity Relationship, and Pharmacological Studies of Novel Melanin-Concentrating Hormone Receptor 1 Antagonists 3-Aminomethylquinolines: Reducing Human Ether-a-go-go-Related Gene (hERG) Associated Liabilities

  摘要：

  Recently, we discovered 3-aminomethylquinoline derivative 1, a selective, highly potent, centrally acting, and orally bioavailable human MCH receptor 1 (hMCHR1) antagonist, that inhibited food intake in F344 rats with diet-induced obesity (DIO). Subsequent investigation of 1 was discontinued because 1 showed potent hERG K+ channel inhibition in a patch-clamp study. To decrease hERG K+ channel inhibition, experiments with ligand-based drug designs based on 1 and a docking study were conducted. Replacement of the terminal p-fluorophenyl group with a cyclopropylmethoxy group, methyl group introduction on the benzylic carbon at the 3-position of the quinoline core, and employment of a [2-(acetylamino)ethyl]amino group as the amine portion eliminated hERG K+ channel inhibitory activity in a patch-clamp study, leading to the discovery of N-{3-[(1R)-1-{[2-(acetylamino)ethyl]amino}ethyl]-8-methylquinolin-7-yl}-4-(cyclopropylmethoxy)benzamide (R)-10h. The compound (R)-10h showed potent inhibitory activity against hMCHR1 and dose-dependently suppressed food intake in a 2-day study on DIO-F344 rats. Furthermore, practical chiral synthesis of (R)-10h was performed to determine the molecule's absolute configuration.

  DOI：

  10.1021/jm300167z

文献信息

• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2261213A1

  公开（公告）日：2010-12-15

  The present invention provides to a compound having melanin-concentrating hormone receptor antagonistic action and low toxicity, and useful as a agent for the prophylaxis or treatment of obesity and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有黑色素浓集激素受体拮抗作用和低毒性的化合物，可用作预防或治疗肥胖等疾病的药剂。本发明涉及一种由下式（I）表示的化合物：其中每个符号如规范中定义的，或其盐。
• Substituted acrylamide derivative and pharmaceutical composition comprising the same
  申请人：Daiichi Sankyo Company, Limited

  公开号：US08143446B2

  公开（公告）日：2012-03-27

  A pharmaceutical composition comprising a compound having Formula (I) or a pharmacologically acceptable salt thereof as an active ingredient: [wherein, R1 is, for example, a C6-C10 aryl group which may be substituted with one group or more than one group selected from substituent group α; R2 is, for example, a C6-C10 aryl group which may be substituted with one group or more than one group selected from substituent group α; and X is, for example, a hydroxyl group or a C1-C6 alkoxy group].

  一种药物组合物，包括以下化合物或其药理学上可接受的盐作为活性成分：[其中，R1是C6-C10芳基，可以被取代为一个或多个取代基α；R2是C6-C10芳基，可以被取代为一个或多个取代基α；X是羟基或C1-C6烷氧基。]
• Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same
  申请人：Aoki Kazumasa

  公开号：US20120220593A1

  公开（公告）日：2012-08-30

  A pharmaceutical composition comprising a compound having Formula (I) or a pharmacologically acceptable salt thereof as an active ingredient: [wherein, R 1 is, for example, a C 6 -C 10 aryl group which may be substituted with one group or more than one group selected from substituent group α; R 2 is, for example, a C 6 -C 10 aryl group which may be substituted with one group or more than one group selected from substituent group α; and X is, for example, a hydroxyl group or a C 1 -C 6 alkoxy group].

  一种制药组合物，包括具有式（I）或其药理学上可接受的盐作为活性成分的化合物：[其中，R1是例如C6-C10芳基基团，该基团可以被选自取代基α的一个或多个基团替代；R2是例如C6-C10芳基基团，该基团可以被选自取代基α的一个或多个基团替代；X是例如羟基或C1-C6烷氧基。]
• BICYCLIC COMPOUND
  申请人：Kamata Makoto

  公开号：US20120010247A1

  公开（公告）日：2012-01-12

  The present invention provides a compound having an ACC inhibitory action, which is useful as an agent for the prophylaxis or treatment of obesity, diabetes, hypertension, hyperlipidemia, cardiac failure, diabetic complications, metabolic syndrome, sarcopenia, cancer and the like, and has superior efficacy. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有ACC抑制作用的化合物，其可用作预防或治疗肥胖症、糖尿病、高血压、高脂血症、心衰、糖尿病并发症、代谢综合征、肌肉萎缩、癌症等的药物，并具有优越的疗效。本发明涉及一种由式(I)表示的化合物，其中每个符号如规范中所定义，或其盐。
• Substituted propanamide derivative and pharmaceutical composition containing the same
  申请人：Daiichi Sankyo Company, Limited

  公开号：US08344029B2

  公开（公告）日：2013-01-01

  It is an object of the present invention to provide a substituted propanamide derivative or a pharmacologically acceptable salt thereof that is useful as a prophylactic or therapeutic agent for a bone metabolic disease. The present invention relates to a pharmaceutical composition comprising a compound having General Formula (I) or a pharmacologically acceptable salt thereof as an active ingredient: [wherein, R1 represents a C6-C10 aryl group that may be substituted by a group selected from Substituent Group α, for example; R2 represents a C6-C10 aryl group that may be substituted by a group selected from Substituent Group α, for example; and X represents a hydroxyl group or a C1-C6 alkoxy group, for example].

  本发明的目的是提供一种替代的丙酰胺衍生物或其药理学上可接受的盐，其可用作骨代谢疾病的预防或治疗剂。本发明涉及一种制药组合物，其包含具有通式(I)的化合物或其药理学上可接受的盐作为活性成分：[其中，R1代表C6-C10芳基，该芳基可以被从取代基组α中选择的基团取代，例如；R2代表C6-C10芳基，该芳基可以被从取代基组α中选择的基团取代，例如；X代表羟基或C1-C6烷氧基，例如]。