6-(trifluoromethyl)-2-naphthoic acid | 50318-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-(trifluoromethyl)-2-naphthoic acid
• 英文别名: 6-Trifluoromethyl-2-naphthoic acid；6-(trifluoromethyl)naphthalene-2-carboxylic acid
• CAS: 50318-08-6
• 化学式: C₁₂H₇F₃O₂
• 分子量: 240.182
• InChiKey: PFOFLKYBBRXDFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(trifluoromethyl)-2-naphthoic acid 在 氢氧化钾 、 sulfur tetrafluoride 、 氨 、 溴 作用下， 以 正己烷 为溶剂， 生成 2-Trifluoromethyl-6-aminonaphthalin
  参考文献：
  名称：

  Kunshenko,B.V. et al., Journal of Organic Chemistry USSR (English Translation), 1973, vol. 9, p. 1971 - 1974

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-萘二羧酸 在 sulfur tetrafluoride 作用下， 生成 6-(trifluoromethyl)-2-naphthoic acid
  参考文献：
  名称：

  Kunshenko,B.V. et al., Journal of Organic Chemistry USSR (English Translation), 1973, vol. 9, p. 1971 - 1974

  摘要：

  DOI：

文献信息

• AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME
  申请人：Shishido Yuji

  公开号：US20120088746A1

  公开（公告）日：2012-04-12

  Compounds are disclosed that have a formula represented by the following: Formula (I). The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  披露了具有以下公式表示的化合物：公式（I）。这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤性损伤等。
• [EN] ARYLCARBOXAMIDES AND USES THEREOF<br/>[FR] ARYLCARBOXAMIDES ET LEURS UTILISATIONS
  申请人：INCEPTION 1 INC

  公开号：WO2017192304A1

  公开（公告）日：2017-11-09

  The present disclosure is directed to compounds of formula (I): or a pharmaceutically acceptable salt, solvate or solvate of the salt thereof. Compounds of formula (I) are inhibitors of NOX4 and are useful in the treatment of fibrotic diseases such as scleroderma; lung disease, such as pulmonary fibrosis including idiopathic pulmonary fibrosis (IPF); heart disease, such as heart failure due to ischaemic heart disease, valvular heart disease and hypertensive heart disease, diabetic cardiomyopathy and hypertension; liver disease, such as cirrhosis of the liver; and kidney disease, such as progressive kidney disease glomerulonephritis and diabetic nephropathy; and eye disease such as diabetic retinopathy; skin or subcutaneous scarring, such as keloids, adhesions, hypertrophic scarring or cosmetic scarring; or as an adjuvant or anti-fibrotic in pancreatic cancer to increase chemotherapeutic drug penetration by reducing the density of the connective tissue stroma.

  本公开涉及的化合物具有以下结构式（I）：或其药学上可接受的盐、溶剂或该盐的溶剂。结构式（I）的化合物是NOX4的抑制剂，可用于治疗纤维化疾病，如硬皮病；肺部疾病，如肺纤维化，包括特发性肺纤维化（IPF）；心脏疾病，如缺血性心脏病、瓣膜性心脏病和高血压性心脏病、糖尿病性心肌病和高血压；肝脏疾病，如肝硬化；肾脏疾病，如进行性肾脏疾病肾小球肾炎和糖尿病肾病；眼部疾病，如糖尿病视网膜病变；皮肤或皮下疤痕，如瘢痕、粘连、肥厚性瘢痕或美容瘢痕；或作为胰腺癌的辅助治疗或抗纤维化剂，通过减少结缔组织基质密度来增加化疗药物的渗透性。
• Heterosubstituted or Functionalized Derivatives of 1- and 2-(Trifluoro­methyl)naphthalenes Emanating from Aryne Adducts
  作者：Manfred Schlosser、Frédéric Bailly、Fabrice Cottet

  DOI：10.1055/s-2005-861813

  日期：——

  the (trifluoromethyl)naphthols and transformed to the dibromo adducts. The latter were stereoselectively converted into the bromo-1,4-epoxy-1,4-dihydro(trifluoromethyl)naphthalenes and, by deoxygenation, into various bromo(trifluoromethyl)naphthalenes. Trifluoromethyl substituted naphthoic acids were obtained when the bromo compds. were subjected to a halogen/metal permutation followed by carboxylation

  超过两打新的 CF3 取代的萘衍生物。准备好了。以方便的方式使用 3- 和 4-(三氟甲基) 苄基作为关键中间体。用丁基锂处理2-和4-氯代苯并三氟并让由此产生的有机金属物质分解。在呋喃的存在下。所得的环加合物被还原为（三氟甲基）萘，开环为（三氟甲基）萘酚并转化为二溴加合物。后者立体选择性地转化为溴-1,4-环氧-1,4-二氢(三氟甲基)萘，并通过脱氧作用转化为各种溴(三氟甲基)萘。当溴化合物发生反应时，得到三氟甲基取代的萘甲酸。进行卤素/金属置换，然后进行羧化。[关于 SciFinder (R)]
• Substituted Bicyclocarboxyamide Compounds
  申请人：Ando Koji

  公开号：US20100267769A1

  公开（公告）日：2010-10-21

  This invention provides a compound of the formula These compounds are useful for the treatment of disease conditions caused by overactivation of the VR1 receptor such as pain, or the like in mammal. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了一个化合物的公式，该化合物对于治疗由VR1受体过度活化引起的疾病状态，如哮喘等哺乳动物中的疼痛等疾病状态非常有用。本发明还提供了一种包含上述化合物的药物组合物。
• WO2008/90434
  申请人：——

  公开号：——

  公开（公告）日：——