(R)-2-(4-氟苯基)丙酸 | 150360-26-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: (R)-2-(4-氟苯基)丙酸
• 英文名称: (2R)-2-(4-fluorophenyl)propanoic acid
• 英文别名: (R)-2-(4-fluorophenyl)propanoic acid
• CAS: 150360-26-2
• 化学式: C₉H₉FO₂
• 分子量: 168.168
• InChiKey: IXSCGBODJGIJNN-ZCFIWIBFSA-N

物化性质

• 沸点：
  258.8±15.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)
• pKa：
  4.31±0.10 (Predicted,Most Acidic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-2-(4-氟苯基)丙酸 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 、 碳酸氢钠 、 potassium carbonate 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 丙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 80.0h， 生成 (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide
  参考文献：
  名称：

  METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES

  摘要：

  本发明涉及根据本文所描述和定义的一般式（I）制备取代三唑吡啶化合物的方法，以及用于制备所述化合物的中间体化合物。

  公开号：

  US20150148542A1
• 作为产物：
  描述：

  对氟苯乙酰氯 在 lithium hydroxide 、 正丁基锂 、 双氧水 、 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 7.0h， 生成 (R)-2-(4-氟苯基)丙酸
  参考文献：
  名称：

  Synthesis and SAR Investigations for Novel Melanin-Concentrating Hormone 1 Receptor (MCH₁) Antagonists Part 1. The Discovery of Arylacetamides as Viable Replacements for the Dihydropyrimidinone Moiety of an HTS Hit

  摘要：

  Melanin-concentrating hormone (MCH) is involved in the regulation of feeding, water balance, energy metabolism, general arousal and attention state, memory, cognitive functions, and psychiatric disorders. Herein, two new chemical series exemplified by N-[5-(1-{3-[2,2-bis-(4-fluoro-phenyl)-acetylamino]-propyl}-piperidin-4-yl)-2,4-difluoro-phenyl]-isobutyramide (SNAP 102739, 5m) and N-[3-(l-{3-[(S)-2-(4-fluorophenyl)-propionylamino]-propyl}-piperidin-4-yl)-4-methylphenyl]-isobutyramide ((S)-6b) are reported. These compounds were designed to improve the pharmacokinetic properties of the high-throughput screening lead compound 1 (SNAP 7941). The MCH, receptor antagonists 5m and (S)-6b show reasonable pharmacokinetic profiles (rat bioavailability = 48 and 81%, respectively). Compounds 5m and (S)-6b demonstrated the inhibition of a centrally administered MCH-evoked drinking effect, and compound 5m exhibited oral in vivo efficacy in the rat social interaction model of anxiety, with a minimum effective dose = 0.3 mg/kg.

  DOI：

  10.1021/jm060381c

文献信息

• Substituted alkyl amido piperidines
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US20040186103A1

  公开（公告）日：2004-09-23

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's depression and/or anxiety.

  这项发明涉及选择性拮抗黑色素浓缩激素-1（MCH1）受体的化合物。该发明提供了一种包括该发明化合物的治疗有效量和药学上可接受的载体的药物组合物。该发明提供了一种由结合本发明化合物的治疗有效量和药学上可接受的载体制成的药物组合物。该发明还提供了一种制备药物组合物的方法，包括结合本发明化合物的治疗有效量和药学上可接受的载体。该发明还提供了一种减少受试者体重的方法，包括向受试者施用本发明化合物的有效量以减少受试者的体重。该发明还提供了一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者施用本发明化合物的有效量以治疗受试者的抑郁症和/或焦虑症。
• [EN] INDANE DERIVATIVES AS MGLUR7 MODULATORS<br/>[FR] DÉRIVÉS D'INDANE UTILISÉS COMME MODULATEURS DE MGLUR7
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2017131221A1

  公开（公告）日：2017-08-03

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4a and R4b are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds of formula (I) are mGluR7 modulators.

  本发明提供了式（I）的化合物及其药学上可接受的盐，其中R1、R2、R3、R4a和R4b如规范中定义，其制备方法，含有它们的药物组合物以及它们在治疗中的用途。式（I）的化合物是mGluR7调节剂。
• [EN] COMPOUNDS FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS POUR LE TRAITEMENT D'UN CANCER
  申请人：BAYER PHARMA AG

  公开号：WO2016091825A1

  公开（公告）日：2016-06-16

  The present invention relates to prodrug derivatives of Mps-1 kinase inhibitors, and their use for the treatment and/or prophylaxis of diseases.

  本发明涉及Mps-1激酶抑制剂的前药衍生物，以及它们在治疗和/或预防疾病中的应用。
• Enantioselective Synthesis of Chiral Carboxylic Acids from Alkynes and Formic Acid by Nickel‐Catalyzed Cascade Reactions: Facile Synthesis of Profens
  作者：Peng Yang、Yaxin Sun、Kaiyue Fu、Li Zhang、Guang Yang、Jieyu Yue、Yu Ma、Jianrong Steve Zhou、Bo Tang

  DOI：10.1002/anie.202111778

  日期：2022.1.3

  A simple nickel catalyst converts terminal alkynes and formic acid to α-chiral carboxylic acids in high enantioselectivity. The reaction proceeds via the hydrocarboxylation of alkynes and enantioselective transfer hydrogenation of acrylic acids.

  一种简单的镍催化剂以高对映选择性将末端炔烃和甲酸转化为 α-手性羧酸。该反应通过炔烃的加氢羧化和丙烯酸的对映选择性转移氢化进行。
• [EN] METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE TRIAZOLOPYRIDINES SUBSTITUÉES
  申请人：BAYER PHARMA AG

  公开号：WO2014009219A1

  公开（公告）日：2014-01-16

  The present invention relates to methods of preparing substituted triazolopyridine compounds of general formula (I) as described and defined herein, as well as to intermediate compounds useful in the preparation of said compounds.

  本发明涉及制备通式（I）所述和定义的取代三唑吡啶化合物的方法，以及用于制备所述化合物的中间体化合物。