(R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid | 17257-70-4

• 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: (R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid
• 英文别名: (2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid
• CAS: 17257-70-4
• 化学式: C₉H₇F₃O₃
• 分子量: 220.148
• InChiKey: XXYXYHGJDXFJPH-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 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：
  57.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid 在 silver(l) oxide 作用下， 生成 (R)-(-)-α-methoxy-α-trifluoromethylphenylacetyl chloride
  参考文献：
  名称：

  Optical rotatory dispersion studies. CXVII. Absolute configurational assignments of some .alpha.-substituted phenylacetic acids by circular dichroism measurements

  摘要：

  DOI：

  10.1021/ja00707a024
• 作为产物：
  描述：

  3-(三氟甲基)苯乙烯 在 platinum on activated charcoal 四氧化锇 、 2,3-diphenyl-5,8-bis-(9-O-dihydroquinidine)pyrazino<2,3-d>pyridazine 、 氧气 、 碳酸氢钠 、 potassium carbonate 、 potassium hexacyanoferrate(III) 作用下， 以 甲苯 、 叔丁醇 为溶剂， 反应 92.0h， 生成 (R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoic acid
  参考文献：
  名称：

  A short route to a moshe'rs acid precursor via catalytic asymmetric dihydroxylation (AD)

  摘要：

  alpha-Methoxy-alpha-(trifluoromethyl)phenyl acetic acid (MTPA) is a valuable derivatizing agent for enantiomeric excess determination of alcohols and amines. A short synthesis of a precursor to this compound, bared on the asymmetric dihydroxylation (AD) reaction is reported.

  DOI：

  10.1016/0957-4166(94)80116-9

文献信息

• [EN] N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE<br/>[FR] DÉRIVÉS DE N-ARYLE ET DE N-HÉTÉROARYLE PIPÉRIDINE EN TANT QU'AGONISTES DES RÉCEPTEURS HÉPATIQUES X, COMPOSITIONS ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2018068297A1

  公开（公告）日：2018-04-19

  Provided herein are certain substituted N-aryl and N-heteroaryl piperidine compounds of the formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, L, R4, L1, Q, R5 and R 6 are as defined. The said novel compounds, and pharmaceutically acceptable compositions comprising a compound thereof, may be useful as Liver X-β receptor(LXRβ) agonists, and may be useful for treating or preventing pathologies related thereto. Such pathologies include, but are not limited to, inflammatory disease and diseases characterized by defects in cholesterol and lipid metabolism, such as Alzheimer's disease.

  提供的是某些取代的N-芳基和N-杂芳基哌啶化合物，其化学式为(I)以及药用可接受的盐，其中R1、R2、R3、L、R4、L1、Q、R5和R6定义如所述。所述新颖化合物，以及包含其化合物的药用可接受组合物，可能用作肝X-β受体(LXRβ)激动剂，并可用于治疗或预防与之相关的病理学。这类病理学包括但不限于炎症性疾病和以胆固醇和脂质代谢缺陷为特征的疾病，例如阿尔茨海默病。
• [EN] BISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE<br/>[FR] DÉRIVÉS DE BISPIPÉRIDINYLE UTILISÉS COMME AGONISTES DES RÉCEPTEURS BÊTA X DU FOIE, COMPOSITIONS ASSOCIÉES ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2017083219A1

  公开（公告）日：2017-05-18

  In its many embodiments, the present invention provides certain substituted bispiperidinyl compounds of the Formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, L, R4, Q and R5 are as defined herein. The novel compounds of the invention, and pharmaceutically acceptable compositions comprising a compound thereof, are useful as Liver X-β receptor (LXRβ) agonists, and may be useful for treating or preventing pathologies related thereto. Such pathologies include, but are not limited to, inflammatory diseases and diseases characterized by defects in cholesterol and lipid metabolism, such as Alzheimer's disease.

  在其多种实施方式中，本发明提供了以下式（I）的某些取代双哌啶基化合物及其药学上可接受的盐，其中R1、R2、R3、L、R4、Q和R5如本文所定义。本发明的新化合物及包括其化合物的药学上可接受的组合物可用作肝X-β受体（LXRβ）激动剂，并且可能用于治疗或预防与之相关的病理。这些病理包括但不限于炎症性疾病和以胆固醇和脂质代谢缺陷为特征的疾病，如阿尔茨海默病。
• [EN] ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE<br/>[FR] DÉRIVÉS D'ETHER D'ARYL ET D'HETEROARYLE EN TANT QU'AGONISTES DES RÉCEPTEURS Β X DU FOIE, COMPOSITIONS ET UTILISATION ASSOCIÉE
  申请人：MERCK SHARP & DOHME

  公开号：WO2018068295A1

  公开（公告）日：2018-04-19

  Substituted aryl and heteroaryl ether compounds of the Formula (I) and pharmaceutically acceptable salts thereof, wherein X, R 1, R 2, R 3, L, R 4, L 1, Q, and R 5 are as defined herein. These compounds and pharmaceutically acceptable compositions comprising a compound thereof, are useful as Liver X-β receptor (LXRβ) agonists, and may be useful for treating or preventing pathologies related thereto. Such pathologies include, but are not limited to, inflammatory diseases and diseases characterized by defects in cholesterol and lipid metabolism, such as Alzheimer's disease.

  式(I)中的取代芳基和杂环芳基醚化合物及其药用盐，其中X、R1、R2、R3、L、R4、L1、Q和R5如本文所定义。这些化合物和含有其化合物的药用组合物可用作肝X-β受体(LXRβ)激动剂，并可能用于治疗或预防与之相关的病理。这些病理包括但不限于炎症性疾病和以胆固醇和脂质代谢缺陷为特征的疾病，如阿尔茨海默病。
• N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators
  申请人：Hanney Barbara

  公开号：US20050277681A1

  公开（公告）日：2005-12-15

  Compounds of structural formula I are modulators of the androgen receptor (AR) in a tissue selective manner. These compounds are useful in the enhancement of weakened muscle tone and the treatment of conditions caused by androgen deficiency or which can be ameliorated by androgen administration, including osteoporosis, osteopenia, glucocorticoid-induced osteoporosis, periodontal disease, bone fracture, bone damage following bone reconstructive surgery, sarcopenia, frailty, aging skin, male hypogonadism, postmenopausal symptoms in women, atherosclerosis, hypercholesterolemia, hyperlipidemia, obesity, aplastic anemia and other hematopoietic disorders, inflammatory arthritis and joint repair, HIV-wasting, prostate cancer, benign prostatic hyperplasia (BPH), abdominal adiposity, metabolic syndrome, type II diabetes, cancer cachexia, Alzheimer's disease, muscular dystrophies, cognitive decline, sexual dysfunction, sleep apnea, depression, premature ovarian failure, and autoimmune disease, alone or in combination with other active agents.

  结构式I的化合物以组织选择性方式调节雄激素受体（AR）。这些化合物对增强肌肉张力和治疗由雄激素缺乏引起或可通过雄激素治疗改善的疾病具有用处，包括骨质疏松症、骨质疏松症、糖皮质激素诱导的骨质疏松症、牙周疾病、骨折、骨重建手术后的骨损伤、肌少症、虚弱、老化皮肤、男性性腺功能减退、女性绝经后症状、动脉粥样硬化、高胆固醇血症、高脂血症、肥胖、再生障碍性贫血和其他造血系统疾病、炎症性关节炎和关节修复、HIV wasting、前列腺癌、良性前列腺增生（BPH）、腹部脂肪过多、代谢综合征、2型糖尿病、癌症恶病质、阿尔茨海默病、肌肉萎缩症、认知下降、性功能障碍、睡眠呼吸暂停、抑郁症、早发性卵巢功能衰竭和自身免疫性疾病等具有治疗作用，可单独使用或与其他活性剂组合使用。
• [EN] HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE<br/>[FR] DÉRIVÉS D'HOMOBISPYPÉRIDINYLE EN TANT QU'AGONISTES DES OXYSTÉROLS BÊTA, COMPOSITIONS ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2017095758A1

  公开（公告）日：2017-06-08

  In its many embodiments, the present invention provides certain substituted bispiperidinyl compounds of the Formula (I): and pharmaceutically acceptable salts thereof, wherein ring A, ring B, R1, R2, R3, L, R4, X, Z, Li, Q and R5 are as defined herein. The novel compounds of the invention, and pharmaceutically acceptable compositions comprising a compound thereof, are useful as Liver Χ-β receptor (LXRβ) agonists, and may be useful for treating or preventing pathologies related thereto. Such pathologies include, but are not limited to, inflammatory diseases and diseases characterized by defects in cholesterol and lipid metabolism, such as Alzheimer's disease.

  在其多种实施方式中，本发明提供了Formula (I)的某些取代双哌啶基化合物及其药学上可接受的盐，其中环A、环B、R1、R2、R3、L、R4、X、Z、Li、Q和R5如本文所定义。本发明的新化合物及包含其化合物的药学上可接受的组合物可用作肝Χ-β受体（LXRβ）激动剂，并可用于治疗或预防与之相关的病理。这些病理包括但不限于炎症性疾病和胆固醇和脂质代谢缺陷所特征的疾病，如阿尔茨海默病。