4-methyl-3-trifluoromethoxybenzonitrile | 928136-79-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methyl-3-trifluoromethoxybenzonitrile
• 英文别名: 4-methyl-3-(trifluoromethoxy)benzonitrile
• CAS: 928136-79-2
• 化学式: C₉H₆F₃NO
• 分子量: 201.148
• InChiKey: XJFOZHCYFVILPI-UHFFFAOYSA-N

物化性质

• 沸点：
  207.4±40.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-methyl-3-trifluoromethoxybenzonitrile 、 N-溴代丁二酰亚胺(NBS) 以to give 4-bromomethyl-3-trifluoromethoxybenzonitrile的产率得到4-bromomethyl-3-trifluoromethoxybenzonitrile
  参考文献：
  名称：

  Organic compounds

  摘要：

  本发明提供了一种式I的化合物：所述化合物是醛固酮合成酶和芳香化酶的抑制剂，因此可用于治疗由醛固酮合成酶或芳香化酶介导的疾病或疾病。因此，式I的化合物可用于治疗低钾血症、高血压、充血性心力衰竭、心房颤动、肾功能衰竭，特别是慢性肾功能衰竭、再狭窄、动脉粥样硬化、X综合征、肥胖症、肾病、心肌梗死后、冠心病、炎症、胶原形成增加、纤维化，如心脏或心肌纤维化和高血压和内皮功能障碍后的重塑，男性乳腺发育过度、骨质疏松症、前列腺癌、子宫内膜异位症、子宫肌瘤、功能性子宫出血、子宫内膜增生、多囊卵巢综合征、不孕症、纤维囊性乳腺病、乳腺癌和纤维囊性乳腺病。最后，本发明还提供了一种制药组合物。

  公开号：

  US09278969B2
• 作为产物：
  描述：

  4-溴-3-三氟甲氧基苯腈 、 三甲基环三硼氧烷 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.17h， 生成 4-methyl-3-trifluoromethoxybenzonitrile
  参考文献：
  名称：

  Organic compounds

  摘要：

  本发明提供了一种I式化合物：所述化合物是醛固酮合成酶和芳香化酶的抑制剂，因此可用于治疗由醛固酮合成酶或芳香化酶介导的疾病或疾病。因此，I式化合物可用于治疗低钾血症、高血压、充血性心力衰竭、心房颤动、肾功能衰竭，特别是慢性肾功能衰竭、再狭窄、动脉粥样硬化、X综合征、肥胖、肾病、心肌梗死后、冠心病、炎症、胶原蛋白增生、纤维化如心脏或心肌纤维化以及高血压和内皮功能障碍后的重塑，男性乳房发育过大、骨质疏松症、前列腺癌、子宫内膜异位症、子宫肌瘤、功能性子宫出血、子宫内膜增生、多囊卵巢综合征、不孕症、纤维囊性乳腺疾病、乳腺癌和纤维囊性乳房病。最后，本发明还提供了一种药物组合物。

  公开号：

  US20070049616A1

文献信息

• Organic Compounds
  申请人：Ksander Gary Michael

  公开号：US20130287789A1

  公开（公告）日：2013-10-31

  The present invention provides a compound of formula I: Said compound is inhibitor of aldosterone synthase and aromatase, and thus can be employed for the treatment of a disorder or disease mediated by aldosterone synthase or aromatase. Accordingly, the compound of formula I can be used in treatment of hypokalemia, hypertension, congestive heart failure, atrial fibrillation, renal failure, in particular, chronic renal failure, restenosis, atherosclerosis, syndrome X, obesity, nephropathy, post-myocardial infarction, coronary heart diseases, inflammation, increased formation of collagen, fibrosis such as cardiac or myocardiac fibrosis and remodeling following hypertension and endothelial dysfunction, gynecomastia, osteoporosis, prostate cancer, endometriosis, uterine fibroids, dysfunctional uterine bleeding, endometrial hyperplasia, polycystic ovarian disease, infertility, fibrocystic breast disease, breast cancer and fibrocystic mastopathy. Finally, the present invention also provides a pharmaceutical composition.

  本发明提供了一种化合物I，其为醛固酮合成酶和芳香化酶的抑制剂，因此可用于治疗由醛固酮合成酶或芳香化酶介导的疾病或疾病。因此，化合物I可用于治疗低钾血症、高血压、充血性心力衰竭、心房颤动、肾衰竭，特别是慢性肾衰竭、再狭窄、动脉粥样硬化、X综合症、肥胖症、肾病、心肌梗死后、冠心病、炎症、胶原形成增加、纤维化如心脏或心肌纤维化以及高血压和内皮功能障碍后的重塑、男性乳腺增生、骨质疏松症、前列腺癌、子宫内膜异位症、子宫肌瘤、功能性子宫出血、子宫内膜增生、多囊卵巢综合症、不孕症、纤维囊性乳房病、乳腺癌和纤维囊性乳房病。最后，本发明还提供了一种制药组合物。
• N-Phenyl-(2R,5S)Dimethylpiperazine Derivative
  申请人：Taniguchi Nobuaki

  公开号：US20080214543A1

  公开（公告）日：2008-09-04

  The present invention relates to a novel N-phenyl-(2R,5S)dimethylpiperazine derivatives useful as antiandrogenic agent which exhibits a sufficient prostate gland reducing effect as compared with conventional compounds and are excellent in oral activity. The compound of the present application is useful in preventing or treating prostate cancer, benign prostatic hyperplasia, and the like. The present invention also provides a novel intermediate useful in producing the compound of the present invention.

  本发明涉及一种新型N-苯基-(2R,5S)二甲基哌嗪衍生物，其作为抗雄激素剂具有足够的前列腺减少效果，与传统化合物相比具有出色的口服活性。本申请的化合物在预防或治疗前列腺癌、良性前列腺增生等方面具有用途。本发明还提供了一种新型中间体，用于制备本发明的化合物。
• ANTIALLERGIC AGENTS
  申请人：Muto Susumu

  公开号：US20080090779A1

  公开（公告）日：2008-04-17

  A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，其包括以下通式（I）所表示的化合物或其药学上可接受的盐、水合物和溶剂化物作为活性成分，其中X表示连接基，其主链中原子数为2至5（该连接基可以被取代），A表示氢原子或乙酰基，E表示芳基或取代的杂芳基，环Z表示苯环，除了由公式-O-A表示的基团，该苯环还可以具有一个或多个取代基团，其中A的含义与上述定义相同，而由公式-X-E表示的基团中，每个X和E的含义也与上述定义相同，或者是一个杂环，除了由公式-O-A表示的基团，该杂环还可以具有一个或多个取代基团，其中A的含义与上述定义相同，而由公式-X-E表示的基团中，每个X和E的含义也与上述定义相同。
• Antiallergic agents
  申请人：Muto Susumu

  公开号：US20070185059A1

  公开（公告）日：2007-08-09

  A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种用于预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，其活性成分包括以下通式（I）表示的化合物或其药学上可接受的盐、水合物和溶剂化物中的一种，其中X代表连接基，其主链中的原子数为2到（该连接基可以被取代），A代表氢原子或乙酰基，E代表芳基或取代的杂环芳基，环Z代表芳烃，除了由公式-O-A表示的基团外，还可以有一个或多个取代基，其中A具有上述定义的相同含义，并且由公式-X-E表示的基团，其中X和E的每个都具有上述定义的相同含义，或者可以有一个或多个取代基的杂芳烃，其中A具有上述定义的相同含义，并且由公式-X-E表示的基团，其中X和E的每个都具有上述定义的相同含义。
• Inhibitors of Ccr9 Activity
  申请人：Carballido Herrera Jose M.

  公开号：US20080275114A1

  公开（公告）日：2008-11-06

  Compounds of formula (I), in which R 1 and R 2 are independently a substituted phenyl group, where the substituents are as defined in the claims and with the proviso that at least one of the substituents is a cyano, carboxy or (C 1-4 )alkoxycarbonyl group, are inhibitors of CCR9 activity useful for therapeutic treatment, particularly of irritable bowel disease.

  化合物的公式（I），其中R1和R2分别是取代苯基，其中取代基如权利要求中所定义，并且至少一个取代基是氰基，羧基或（C1-4）烷氧羰基基团，是CCR9活性的抑制剂，对治疗特别是肠易激综合症非常有用。