2-(2-Fluoro-3-methylphenyl)acetic acid | 886762-65-8

• 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: 2-(2-Fluoro-3-methylphenyl)acetic acid
• CAS: 886762-65-8
• 化学式: C₉H₉FO₂
• mdl: MFCD07368782
• 分子量: 168.16
• InChiKey: JHILBAAZZQSBAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 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：

  3(2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 2HCl 、 2-(2-Fluoro-3-methylphenyl)acetic acid 、 O-(7-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 16.0h， 以to give 3-{1-[(2-fluoro-3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (71 mg) as an off-white solid的产率得到3-{1-[(2-fluoro-3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  参考文献：
  名称：

  CHEMICAL COMPOUNDS

  摘要：

  本发明涉及取代的吲哚啉衍生物。具体而言，本发明涉及按式I所示的化合物：其中R1、R2和R3在此定义。本发明的化合物是PERK的抑制剂，可用于治疗癌症、眼部疾病和与激活的未折叠蛋白质应答途径相关的疾病，如阿尔茨海默病、中风、1型糖尿病帕金森病、亨廷顿病、肌萎缩性侧索硬化、心肌梗死、心血管疾病、动脉硬化和心律失常，更具体地，乳腺癌、结肠癌、胰腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还涉及使用本发明化合物或包含本发明化合物的药物组合物抑制PERK活性和治疗相关疾病的方法。

  公开号：

  US20120077828A1

文献信息

• MULTI-CYCLIC COMPOUNDS
  申请人：KIMURA Teiji

  公开号：US20090062529A1

  公开（公告）日：2009-03-05

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  一种由化学式(I)表示的化合物或其药理学可接受的盐，其中Ar1代表可用C1-6烷基基团取代的咪唑基团或类似基团，Ar2代表可用C1-6烷氧基团取代的苯基团或类似基团，X1代表双键或类似基团，Het代表可用C1-6烷基基团或类似基团取代的三唑基团或类似基团，对由Aβ引起的疾病具有治疗或预防作用。
• Diphenethylamine Derivatives Which Are Inter Alia Useful As Analgesics And Method For Their Production
  申请人：UNIVERSITY OF INNSBRUCK

  公开号：US20180072654A1

  公开（公告）日：2018-03-15

  Diphenethylamine derivatives for use as highly active analgesics, diuretics, anxiolytics, for the treatment of neurode-generative, psychiatric and neuropsychiatric disorders, and also as anti-itch, anti-addiction, anti-inflammatory, anti-obesity, anti-epileptic, anti-convulsant, anti-seizure, anti-stress, anti-psychotic and anti-depressant medications and their pharmaceutically acceptable salts and easily accessible derivatives thereof (e.g. esters, ethers, amides), processes for their preparation and their application in the manufacture of pharmaceutical products.

  二苯乙胺衍生物可用作高活性镇痛剂、利尿剂、抗焦虑药，用于治疗神经退行性、精神疾病和神经精神疾病，以及作为抗瘙痒、抗成瘾、抗炎、抗肥胖、抗癫痫、抗抽搐、抗癫痫发作、抗压力、抗精神病和抗抑郁药物及其药学上可接受的盐和易于获取的衍生物（例如酯、醚、酰胺），以及它们的制备过程和在药品制造中的应用。
• IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF
  申请人：KIMURA Teiji

  公开号：US20110065696A1

  公开（公告）日：2011-03-17

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  化合物的化学式为(I)或其药理学上可接受的盐，其中Ar1代表咪唑基团或类似基团，该基团可能被C1-6烷基取代，Ar2代表苯基或类似基团，该基团可能被C1-6烷氧基取代，X1代表双键或类似基团，Het代表三唑基团或类似基团，该基团可能被C1-6烷基或类似基团取代，可用作治疗或预防由Aβ引起的疾病的药物。
• Chemical compounds
  申请人：Axten Jeffrey Michael

  公开号：US08598156B2

  公开（公告）日：2013-12-03

  The invention is directed to substituted indoline derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R1, R2, and R3 are defined herein. The compounds of the invention are inhibitors of PERK and can be useful in the treatment of cancer, ocular diseases, and diseases associated with activated unfolded protein response pathways, such as Alzheimer's disease, stroke, Type 1 diabetes Parkinson disease, Huntington's disease, amyotrophic lateral sclerosis, myocardial infarction, cardiovascular disease, atherosclerosis, and arrhythmias, and more specifically cancers of the breast, colon, pancreatic, and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting PERK activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代的吲哚啉衍生物。具体而言，本发明涉及符合公式I的化合物：其中R1，R2和R3在此定义。本发明的化合物是PERK的抑制剂，可用于治疗癌症、眼部疾病以及与激活的未折叠蛋白质反应途径相关的疾病，例如阿尔茨海默病、中风、1型糖尿病、帕金森病、亨廷顿病、肌萎缩侧索硬化、心肌梗死、心血管疾病、动脉粥样硬化和心律失常，更具体地是乳腺癌、结肠癌、胰腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制PERK活性和治疗与其相关的疾病的方法。
• POLYCYCLIC COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2181992A1

  公开（公告）日：2010-05-05

  Disclosed is a compound represented by the formula (I): or a pharmacologically acceptable salt thereof, which is effective as a therapeutic or prophylactic agent for a disease induced by Aβ, wherein Ar1 represents an imidazolyl group which may be substituted with a C1-6 alkyl group, or the like; Ar2 represents a phenyl group which may be substituted with a C1-6 alkoxy group, or the like; X1 represents a double bond, or the like; and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, or the like.

  本发明公开了一种由式 (I) 表示的化合物： 或其药理上可接受的盐，可有效治疗或预防由 Aβ 诱导的疾病，其中 Ar1 代表咪唑基团，可被 C1-6 烷基或类似基团取代；Ar2 代表苯基，可被 C1-6 烷氧基或类似基团取代；X1 代表双键或类似基团；Het 代表三唑基团或类似基团，可被 C1-6 烷基或类似基团取代。