1-溴-4-(2-甲氧基丙烷-2-基)苯 | 119027-36-0

• 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: 1-溴-4-(2-甲氧基丙烷-2-基)苯
• 英文名称: 1-bromo-4-(2-methoxypropan-2-yl)benzene
• CAS: 119027-36-0
• 化学式: C₁₀H₁₃BrO
• 分子量: 229.117
• InChiKey: SVSUUYAOGAZDBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-溴-4-(2-甲氧基丙烷-2-基)苯 在 盐酸 、 正丁基锂 作用下， 以 二氯甲烷 为溶剂， 反应 8.5h， 生成 2-<4-(N,N-dimethylcarbamoyl)-phenyl>-2-chloropropane
  参考文献：
  名称：

  Variable electronic properties of the CSNMe2 thioamide group

  摘要：

  The sigma-I value for the CSNMe2 group has been determined and the value of 0.23 indicates that this group is inductively electron withdrawing. The effect of the p-CSNMe2 group on the solvolysis rate of cumyl chloride has also been determined and, relative to the p-H analogue, this group has a negligible effect on rate. p-CSNMe2 substitution slows the hydrolysis rate of substituted benzaldehyde dimethyl acetals. p-CSNMe2 substitution enhances the solvolysis rate of ArCH(OMs)PO(OEt)2. These variable rate effects on reactions involving cationic intermediates have been interpreted in terms of variable electronic properties of the CSNMe2 group. This group can be cation stabilizing, electroneutral, or cation destabilizing, depending on the charge demands of specific cations. This is a result of a conjugative interaction of CSNMe2 with a cationic center and resultant delocalization of positive charge onto sulfur. The importance of such conjugation is a function of the amount of transition-state charge developed on the carbon bearing the CSNMe2 group. The electronic effects of the amphielectronic p-CSNMe2 group are compared to the more conventional effects of CONMe2 and the m-CSNMe2 analogues.

  DOI：

  10.1021/jo00013a038
• 作为产物：
  描述：

  2-羟基-2-(4-溴苯基)丙烷 在 吡啶 、 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 26.0h， 生成 1-溴-4-(2-甲氧基丙烷-2-基)苯
  参考文献：
  名称：

  Variable electronic properties of the CSNMe2 thioamide group

  摘要：

  The sigma-I value for the CSNMe2 group has been determined and the value of 0.23 indicates that this group is inductively electron withdrawing. The effect of the p-CSNMe2 group on the solvolysis rate of cumyl chloride has also been determined and, relative to the p-H analogue, this group has a negligible effect on rate. p-CSNMe2 substitution slows the hydrolysis rate of substituted benzaldehyde dimethyl acetals. p-CSNMe2 substitution enhances the solvolysis rate of ArCH(OMs)PO(OEt)2. These variable rate effects on reactions involving cationic intermediates have been interpreted in terms of variable electronic properties of the CSNMe2 group. This group can be cation stabilizing, electroneutral, or cation destabilizing, depending on the charge demands of specific cations. This is a result of a conjugative interaction of CSNMe2 with a cationic center and resultant delocalization of positive charge onto sulfur. The importance of such conjugation is a function of the amount of transition-state charge developed on the carbon bearing the CSNMe2 group. The electronic effects of the amphielectronic p-CSNMe2 group are compared to the more conventional effects of CONMe2 and the m-CSNMe2 analogues.

  DOI：

  10.1021/jo00013a038

文献信息

• [EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE
  申请人：RQX PHARMACEUTICALS INC

  公开号：WO2018149419A1

  公开（公告）日：2018-08-23

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制细菌类型1信号肽酶（SpsB）发挥作用，这是细菌中的一种必需蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。
• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS DESTINÉS AU TRAITEMENT D'ÉTATS PATHOLOGIQUES ASSOCIÉS À UNE ACTIVITÉ DE NLRP
  申请人：IFM TRE INC

  公开号：WO2019023147A1

  公开（公告）日：2019-01-31

  In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured.The variables shown in Formula AA are as defined in the claims. The compounds of formula AA are NLRP3 activity modulators and, as such, can be used in the treatment of metabolic disorders (e.g. Type 2 diabetes, atherosclerosis, obesity or gout), a disease of the central nervous system (e.g. Alzheimer's disease, multiple sclerosis, Amyotrophic Lateral Sclerosis or Parkinson's disease), lung disease (e.g. asthma, COPD or pulmonary idiopathic fibrosis), liver disease (e.g. NASH syndrome, viral hepatitis or cirrhosis), pancreatic disease (e.g. acute pancreatitis or chronic pancreatitis), kidney disease (e.g. acute kidney injury or chronic kidney injury), intestinal disease (e.g. Crohn's disease or Ulcerative Colitis), skin disease (e.g. psoriasis), musculoskeletal disease (e.g. scleroderma), a vessel disorder (e.g. giant cell arteritis), a disorder of the bones (e.g. osteoarthritis, osteoporosis or osteopetrosis disorders), eye disease (e.g. glaucoma or macular degeneration), a disease caused by viral infection (e.g. HIV or AIDS), an autoimmune disease (e.g. Rheumatoid Arthritis, Systemic Lupus Erythematosus or Autoimmune Thyroiditis), cancer or aging.

  在一方面，特征在于公式AA的化合物，或其药用可接受的盐。公式AA中所示的变量如权利要求中所定义。公式AA的化合物是NLRP3活性的调节剂，因此，可用于治疗代谢紊乱（例如2型糖尿病、动脉硬化、肥胖或痛风）、中枢神经系统疾病（例如阿尔茨海默病、多发性硬化症、肌萎缩侧索硬化症或帕金森病）、肺病（例如哮喘、慢性阻塞性肺病或特发性肺纤维化）、肝病（例如非酒精性脂肪肝炎、病毒性肝炎或肝硬化）、胰腺病（例如急性胰腺炎或慢性胰腺炎）、肾病（例如急性肾损伤或慢性肾损伤）、肠病（例如克罗恩病或溃疡性结肠炎）、皮肤病（例如银屑病）、肌肉骨骼疾病（例如硬皮病）、血管障碍（例如巨细胞动脉炎）、骨骼疾病（例如骨关节炎、骨质疏松症或骨石化病）、眼病（例如青光眼或黄斑变性）、由病毒感染引起的疾病（例如HIV或艾滋病）、自身免疫病（例如类风湿性关节炎、系统性红斑狼疮或自身免疫性甲状腺炎）、癌症或衰老。
• [EN] COMPOUNDS AND THEIR METHODS OF USE<br/>[FR] COMPOSÉS ET PROCÉDÉS D'UTILISATION DESDITS COMPOSÉS
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2018098499A1

  公开（公告）日：2018-05-31

  The present invention is directed to, in part, fused heteroaryl compounds and compositions useful for preventing and/or treating a disease or condition relating to aberrant function of a voltage-gated, sodium ion channel, for example, abnormal late/persistent sodium current. Methods of treating a disease or condition relating to aberrant function of a sodium ion channel including Dravet syndrome or epilepsy are also provided herein.

  本发明部分涉及融合的杂环化合物和组合物，用于预防和/或治疗与电压门控钠离子通道异常功能相关的疾病或症状，例如异常的晚期/持续性钠电流。本文还提供了治疗与钠离子通道异常功能相关的疾病或症状，包括德拉维特综合征或癫痫的方法。
• [EN] NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE BENZYL(IDENE)-LACTAME
  申请人：PFIZER PROD INC

  公开号：WO2005090300A1

  公开（公告）日：2005-09-29

  The present invention relates to novel benzyl(idene)-lactam derivatives, compounds of the formula (I) wherein R1 is a group of the formula G1 or G2 depicted below, wherein R1, R3, R6, R13, X, a, n and m are as defined herein, their pharmaceutically acceptable salts, and pharmaceutical compositions which include selective antagonists, inverse agonists and partial agonists of serotonin 1 (5-HT1) receptors, specifically, of one or both of the 5-HT1A and 5-HT1B receptors. The compounds of the invention are useful in treating or preventing depression, anxiety, obsessive compulsive disorder (OCD) and other disorders for which a 5-HT1 agonist or antagonist is indicated and have reduced potential for cardiac side effects, in particular QTc prolongation.

  本发明涉及新型苄基(亚)内酰胺衍生物，化合物的结构如下式(I)所示，其中R1是下图所示的G1或G2的基团，其中R1、R3、R6、R13、X、a、n和m的定义如本文所述，其药学上可接受的盐，以及包括选择性5-羟色胺1(5-HT1)受体的拮抗剂、逆向激动剂和部分激动剂的药物组合物，具体地，是5-HT1A和/或5-HT1B受体中的其中一个或两者的拮抗剂。本发明的化合物在治疗或预防抑郁症、焦虑症、强迫症(OCD)和其他需要5-HT1激动剂或拮抗剂的疾病中具有用途，并且具有降低心脏副作用的潜力，特别是QTc延长。
• Pyridyl piperazines for the treatment of CNS disorders
  申请人：Brodney A. Michael

  公开号：US20060025421A1

  公开（公告）日：2006-02-02

  This invention is directed to compounds of Formula I and to pharmaceutical compositions comprising the compound of Formula I. where the dashed line represents an optional double bond; and where n is 1 or 2, and Ar 1 , Ar 2 , . . . and Z are as defined in the specification. The invention is also directed to a method of treating a disorder or condition that can be treated by altering serotonin-mediated neurotransmission, such as migraine, headache, cluster headache, anxiety, depression, etc. This invention is also directed to intermediates useful in the synthesis of compounds of Formula I.

  这项发明涉及到式I化合物和包括式I化合物的药物组合物；其中虚线代表可选的双键；n为1或2，Ar1、Ar2等为规范中定义的化学基团。该发明还涉及一种治疗可以通过改变5-羟色胺介导的神经传递来治疗的疾病或症状的方法，如偏头痛、头痛、集群头痛、焦虑、抑郁等。该发明还涉及在合成式I化合物过程中有用的中间体。