2-Methyl-N⁴-(4'-chlorophenyl)piperazine | 76691-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-Methyl-N⁴-(4'-chlorophenyl)piperazine
• 英文别名: 1-(4-chlorophenyl)-3-methylpiperazine；1-(4-Chloro-phenyl)-3-(R)-methyl-piperazine；1-(4-Chloro-phenyl)-3-methyl-piperazine；1-(4chlorophenyl)-3-methylpiperazine
• CAS: 76691-37-7
• 化学式: C₁₁H₁₅ClN₂
• 分子量: 210.706
• InChiKey: UECHCFXEJKAZEX-UHFFFAOYSA-N

物化性质

• 沸点：
  340.2±27.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  对叔丁基苯磺酰氯 、 2-Methyl-N⁴-(4'-chlorophenyl)piperazine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-(4-tert-butylphenylsulfonyl)-4-(4-chlorophenyl)-2-methylpiperazine
  参考文献：
  名称：

  [EN] DIAZA HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USES
  [FR] DERIVES DIAZA HETEROCYCLIQUES DE SULFONAMIDE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2007070506A3
• 作为产物：
  描述：

  4-溴氯苯 、 2-甲基哌嗪 在 palladium diacetate 三对苯甲基膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 生成 2-Methyl-N⁴-(4'-chlorophenyl)piperazine
  参考文献：
  名称：

  [EN] DIAZA HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USES
  [FR] DERIVES DIAZA HETEROCYCLIQUES DE SULFONAMIDE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2007070506A3

文献信息

• [EN] 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS<br/>[FR] DERIVES DE PIPERAZINES 1-ARYL-4-SUSBTITUES UTILISES EN TANT QU'ANTAGONISTES DU CCR1 DANS LE TRAITEMENT DE L'INFLAMMATION ET DES TROUBLES IMMUNITAIRES
  申请人：CHEMOCENTRYX INC

  公开号：WO2003105853A1

  公开（公告）日：2003-12-24

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR1. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.

  提供了作为CCR1受体强效拮抗剂的化合物，并且已经在动物炎症测试中进一步确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用于鉴定竞争性CCR1拮抗剂的检测中具有用途。
• Substituted piperazines
  申请人：ChemoCentryx, Inc.

  公开号：US20040162282A1

  公开（公告）日：2004-08-19

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR1. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.

  提供了作为CCR1受体强效拮抗剂的化合物，并且这些化合物在动物炎症测试中进一步得到确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用作竞争性CCR1拮抗剂鉴定的检测中是有用的。
• Receptor Antagonists
  申请人：——

  公开号：US20040110826A1

  公开（公告）日：2004-06-10

  The present invention provides an &agr; 2c -adrenoceptor antagonist comprising, as an active ingredient, a condensed-ring-pyrimidine derivative represented by general formula (I) below or a pharmaceutically acceptable salt thereof useful for treating and/or preventing various diseases induced by hyperactivity of &agr; 2c -adrenoceptor (for example, Parkinson's disease, L-DOPA-induced dyskinesia, tardive dyskinesia and depression) and the like. 1 {wherein p represents an integer of 1 to 3; R 1 represents a substituted or unsubstituted heterocyclic group, substituted or unsubstituted aryl, or the like; R 2 represents —N(—R 4 )(—R 5 ) (wherein R 4 and R 5 are the same or different, and each represents a hydrogen atom, substituted or unsubstituted aralkyl, or the like, or R 4 and R 5 form a substituted or unsubstituted heterocyclic group together with the adjacent nitrogen atom) or the like; and -Q- represents —N═C(—R 7 )— [wherein R 7 represents —N(—R 9 )(—R 10 ) (wherein R 9 and R 10 are the same or different, and each represents substituted or unsubstituted aralkyl, or the like, or R 9 and R 10 form a substituted or unsubstituted heterocyclic group together with the adjacent nitrogen atom) or the like] or the like}

  本发明提供一种α2c-肾上腺素受体拮抗剂，其包括以下通式（I）所代表的紧缩环嘧啶衍生物或其药学上可接受的盐作为活性成分，用于治疗和/或预防由α2c-肾上腺素受体过度活跃引起的各种疾病（例如帕金森病、L-多巴诱导的运动障碍、迟发性运动障碍和抑郁症）等。 其中，p表示1到3的整数； R1代表取代或未取代的杂环基团、取代或未取代的芳基等； R2代表—N(—R4)(—R5)（其中R4和R5相同或不同，每个代表氢原子、取代或未取代的芳基烷基等，或R4和R5与相邻氮原子一起形成取代或未取代的杂环基团）等；以及 -Q-代表—NHC(—R7)— [其中R7代表—N(—R9)(—R10)（其中R9和R10相同或不同，每个代表取代或未取代的芳基烷基等，或R9和R10与相邻氮原子一起形成取代或未取代的杂环基团）等]等。
• Substituted 1,2,3,4-tetrahydroquinolin-6-yloxypropanes as β3-adrenergic receptor agonists: Design, synthesis, biological evaluation and pharmacophore modeling
  作者：Neeraj Shakya、Kuldeep K. Roy、Anil K. Saxena

  DOI：10.1016/j.bmc.2008.11.030

  日期：2009.1

  four candidates have been identified as possible leads for further development of β3-adrenergic receptor agonists for obesity and Type-II diabetes pharmacotherapy. The free OH and NH functions are found to be essential for β3-adrenergic receptor agonistic activity. Among the synthesized β3-adrenergic receptor agonists having 1,2,3,4-tetrahydroquinoline scaffold, the N-benzyl group is found to be superior

  在搜索强效的β 3 -肾上腺素能受体激动剂，一系列新的取代的-1,2,3,4-四氢喹啉-6- yloxypropanes已经合成并评价它们的β 3 -肾上腺素能受体激动活性（范围从-17.73％至使用成熟的人SK-N-MC神经母细胞瘤细胞模型在10μM时抑制90.64％。四个分子即。11，15，22和23表明β 3 -AR激动剂IC 50 0.55，0.59，1.18和1.76μM的值，分别。这四名候选人已确定为β的进一步发展可能导致3-肾上腺素能受体激动剂用于肥胖症和II型糖尿病的药物治疗。游离OH和NH功能被发现是对β必不可少3 -肾上腺素能受体激动活性。中合成的β 3具有1,2,3,4-四氢喹啉骨架-肾上腺素能受体激动剂，所述Ñ苄基被发现是在优越Ñ -arylsulfonyl基。考虑到上述四个活性分子，已对假定的药效团模型进行了建模，这四个分子在活性和非活性分子之间有很好的区别。
• NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES
  申请人：Pouzet Pascale

  公开号：US20110046096A1

  公开（公告）日：2011-02-24

  The invention relates to the novel dihydrothienopyrimidine sulfoxides of formula (I) and to the pharmacologically acceptable salts thereof, wherein X represents SO or SO 2 , preferably however SO, and wherein R 3 , R 4 , R 4′ , R 5 , R 6 and R 7 are defined as in claim 1 . The invention also relates to pharmaceutical compositions containing said compounds. The novel dihydrothienopyrimidine sulfoxides are suitable for use in the treatment of respiratory or gastrointestinal disorders or diseases, inflammatory diseases of the joints, the skin or the eyes, diseases of the peripheral or central nervous system or cancers.

  该发明涉及公式（I）的新型二氢噻吡嘧啶砜氧化物及其药理学上可接受的盐，其中X代表SO或SO2，但最好是SO，其中R3、R4、R4'、R5、R6和R7如权利要求1中定义。该发明还涉及含有所述化合物的药物组合物。这种新型二氢噻吡嘧啶砜氧化物适用于治疗呼吸系统或消化系统的紊乱或疾病，关节、皮肤或眼睛的炎症性疾病，外周或中枢神经系统的疾病或癌症。