3-溴-5-乙基甲苯 | 1208075-19-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-溴-5-乙基甲苯
• 英文名称: 1-bromo-3-ethyl-5-methylbenzene
• 英文别名: 3-Bromo-5-ethyltoluene
• CAS: 1208075-19-7
• 化学式: C₉H₁₁Br
• 分子量: 199.09
• InChiKey: GHSIXUBBYMWOOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3-溴-5-乙基甲苯 生成 (7-(3-Ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl)((1s,3s)-3-hydroxy-3-methylcyclobutyl)methanone
  参考文献：
  名称：

  CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS

  摘要：

  式(I)的化合物及其药用盐、同位素、N-氧化物、溶剂合物和立体异构体，包含它们的药物组合物，制备它们的方法以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、疾病和症状的方法，如与疼痛、精神障碍、神经障碍（包括但不限于抑郁症、重度抑郁症、治疗抵抗性抑郁症、焦虑性抑郁症、自闭症谱系障碍、阿斯伯格综合征和躁狂症）、癌症和眼部疾病相关的疾病状态、疾病和症状：其中R1、R3和L如本文所定义。

  公开号：

  US20220089538A1

文献信息

• [EN] AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS<br/>[FR] AMINOCYCLOBUTANES SERVANT DE MODULATEURS DE LA MONOACYLGLYCÉROL LIPASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021191391A1

  公开（公告）日：2021-09-30

  Aminocyclobutane compounds of Formula (I), and pharmaceutically acceptable salts, isotopes, N-oxides, solvates, and stereoisomers thereof, pharmaceutical compositions containing them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, autism spectrum disorders, Asperger syndrome, bipolar disorder), cancers and eye conditions: wherein X, R1, R2a, R2b, R3 and R4 are defined herein.

  化合物的分子式（I）为氨基环丁烷化合物，以及其药用盐、同位素、N-氧化物、溶剂合物和立体异构体，包含它们的药物组合物，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、紊乱和条件的方法，如与疼痛、精神障碍、神经障碍（包括但不限于重度抑郁症、治疗抵抗性抑郁症、焦虑性抑郁症、自闭症谱系障碍、阿斯伯格综合征、躁郁症）、癌症和眼部疾病相关的方法：其中X、R1、R2a、R2b、R3和R4在此处有定义。
• Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5
  申请人：Kamenecka M. Theodore

  公开号：US20070027321A1

  公开（公告）日：2007-02-01

  The present invention is directed to novel bipyridyl amine and ether compounds such as those of Formula (I): (I) (where R?1#191, R?2#191, R?3#191, X and Y are as defined herein) which are mGluR5 modulators useful in the treatment or prevention of diseases and conditions in which mGluR5 is involved, including but not limited to psychiatric and mood disorders such as schizophrenia, anxiety, depression, bipolar disorders, and panic, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm and sleep disorders, such as shift-work induced sleep disorder and jet-lag, drug addiction, drug abuse, drug withdrawal, obesity and other diseases. The invention is also directed to pharmaceutical compositions comprising these compounds. This invention further provides a method of treatment of these disorders and conditions by the administration of an effective amount of these novel bipyridyl amine and/or ether compounds and/or compositions containing these compounds.

  本发明涉及新型的联吡啶胺和醚化合物，例如公式(I)中的化合物：(I) (其中R?1#191，R?2#191，R?3#191，X和Y如本文所定义)，这些化合物是mGluR5调节剂，可用于治疗或预防涉及mGluR5的疾病和病况，包括但不限于精神和情绪障碍，如精神分裂症、焦虑、抑郁、双相障碍和惊恐，以及治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律和睡眠障碍，如倒班工作引起的睡眠障碍和时差反应、药物成瘾、药物滥用、戒断综合征、肥胖症和其他疾病。本发明还涉及包含这些化合物的药物组合物。本发明还提供了通过给予这些新型联吡啶胺和/或醚化合物和/或含有这些化合物的组合物的有效量来治疗这些障碍和病况的方法。
• COMPOUNDS AND METHODS
  申请人：Baloglu Erkan

  公开号：US20130059883A1

  公开（公告）日：2013-03-07

  Disclosed are compounds having the formula: wherein X 1 , X 2 , X 3 , R 1 , R 2 , R 3 , R 4 , Y, A, Z, L and n are as defined herein, and methods of making and using the same.

  公开的化合物具有以下公式：其中X1，X2，X3，R1，R2，R3，R4，Y，A，Z，L和n的定义如下，以及制备和使用它们的方法。
• HERBIZID WIRKSAME 3-PHENYLISOXAZOLINDERIVATE
  申请人：Bayer CropScience AG

  公开号：EP2900645A1

  公开（公告）日：2015-08-05
• ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Linders Theodorus Maria Joannes

  公开号：US20080096869A1

  公开（公告）日：2008-04-24

  the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n represents an integer being 1 or 2; R 1 and R 2 each independently represents hydrogen C 1-4 alkyl, NR 9 R 10 , C 1-4 alkyloxy; or R 1 and R 2 taken together with the carbon atom with which they are attached form a C 3-6 cycloalkyl; and where n is 2, either R 1 or R 2 may be absent to form an unsaturated bond; R 3 represents a C 6-12 cycloalkyl, preferably selected from cylo-octanyl and cyclohexyl or R 3 represents a monovalent radical having one of the following formulae wherein said C 6-12 cycloalkyl or monovalent radical may optionally be substituted with one, or where possible two, three or more substituents selected from the group consisting of C 1-4 alkyl, C 1-4 alkyloxy, halo or hydroxy; Q represents Het 1 or Ar 2 wherein said C 3-8 cycloalkyl, Het 1 or Ar 2 are optionally substituted with one or where possible two or more substituents selected from halo, C 1-4 alkyl, C 1-4 alkyloxy, hydroxy, nitro, NR 5 R 6 , C 1-4 alkyloxy substituted with one or where possible two, three or more substituents each independently selected from hydroxycarbonyl, Het 2 and NR 7 R 8 , and C 1-4 alkyl substituted with one or where possible two or three halo substituents, preferably trifluoromethyl; R 5 and R 6 each independently represent hydrogen, C 1-4 alkyl, or C 1-4 alkyl substituted with phenyl; R 7 and R 8 each independently represent hydrogen or C 1-4 alkyl; R 9 and R 10 each independently represent hydrogen, C 1-4 alkyl or C 1-4 alkyloxycarbonyl; L represents C 1-4 alkyl; Het 1 represents a heterocycle selected from pyridinyl, thiophenyl, or 1,3-benzodioxolyl; Het 2 represents piperidinyl, pyrrolidinyl or morpholinyl; Ar 2 represents phenyl, naphtyl or indenyl.