1-[(2-溴苯基)磺酰基]-4-甲基哌嗪 | 486422-18-8

• 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-[(2-溴苯基)磺酰基]-4-甲基哌嗪
• 英文名称: 1-[(2-bromophenyl)sulfonyl]-4-methylpiperazine
• 英文别名: 1-(2-bromobenzenesulfonyl)-4-methylpiperazine；1-(2-bromophenyl)sulfonyl-4-methylpiperazine
• CAS: 486422-18-8
• 化学式: C₁₁H₁₅BrN₂O₂S
• mdl: MFCD10000773
• 分子量: 319.222
• InChiKey: FQYGCYGGEIMAQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(2-溴苯基)磺酰基]-4-甲基哌嗪 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 2-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid
  参考文献：
  名称：

  Discovery of Novel Potent and Highly Selective Glycogen Synthase Kinase-3β (GSK3β) Inhibitors for Alzheimer’s Disease: Design, Synthesis, and Characterization of Pyrazines

  摘要：

  Glycogen synthase kinase-3 beta, also called tau phosphorylating kinase, is a proline-directed serine/threonine kinase which was originally identified due to its role in glycogen metabolism. Active forms of GSK3 beta localize to pretangle pathology including dystrophic neuritis and neurofibrillary tangles in Alzheimer's disease (AD) brain. By using a high throughput screening (HTS) approach to search for new chemical series and cocrystallization of key analogues to guide the optimization and synthesis of our pyrazine series, we have developed highly potent and selective inhibitors showing cellular efficacy and blood-brain barrier penetrance. The inhibitors are suitable for in vivo efficacy testing and may serve as a new treatment strategy for Alzheimer's disease.

  DOI：

  10.1021/jm201724m
• 作为产物：
  描述：

  N-甲基哌嗪 、 2-溴苯磺酰氯 生成 1-[(2-溴苯基)磺酰基]-4-甲基哌嗪
  参考文献：
  名称：

  Arylamines for the treatment of conditions associated with gsk-3

  摘要：

  本发明涉及具有公式（I）的新化合物，其中Z、Y、X、P、Q、R、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、A、m和n的定义如权利要求1至3中的任意一项，以及制备它们的过程和其中制备的新中间体，含有所述治疗活性化合物的制药配方以及使用所述活性化合物治疗与糖原合酶激酶-3（GSK3）相关的疾病的方法。

  公开号：

  US20060052396A1

文献信息

• FLAP MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20150259357A1

  公开（公告）日：2015-09-17

  The present invention relates to compounds of Formula (I), or a form thereof, wherein ring A, R 1 , R 2 , R 3 , R 3 ′, L, W, and V are as defined herein, useful as FLAP modulators. The invention also relates to pharmaceutical compositions comprising compounds of Formula (I). Methods of making and using the compounds of Formula (I) are also within the scope of the invention

  本发明涉及式（I）的化合物，或其形式，其中环A，R1，R2，R3，R3'，L，W和V如本文所定义，可用作FLAP调节剂。该发明还涉及包含式（I）化合物的药物组合物。制备和使用式（I）化合物的方法也属于本发明的范围。
• Quinazolinamide derivatives
  申请人：Eggenweiler Hans-Michael

  公开号：US20100234324A1

  公开（公告）日：2010-09-16

  Novel quinazolinamide derivatives of the formula (I), in which R 1 -R 3 have the meanings indicated in Claim 1, are HSP90 inhibitors and can be used for the preparation of a medicament for the treatment of diseases in which the inhibition, regulation and/or modulation of HSP90 plays a role.

  新型喹唑啉酰胺衍生物的化学式（I），其中R1-R3具有权利要求书中指示的含义，是HSP90抑制剂，可用于制备用于治疗HSP90在疾病的抑制、调节和/或调控中发挥作用的药物。
• Arylamines for the treatment of conditions associated with gsk-3
  申请人：Berg Stefan

  公开号：US20060052396A1

  公开（公告）日：2006-03-09

  The present invention relates to new compounds of formula (I) wherein Z, Y, X, P, Q, R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , A, m and n are defined as in any one of claims 1 to 3, a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said therapeutically active compounds and to the use of said active compounds for the treatment of conditions associated with glycogens synthase kinase-3 (GSK3).

  本发明涉及具有公式（I）的新化合物，其中Z、Y、X、P、Q、R、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、A、m和n的定义如权利要求1至3中的任意一项，以及制备它们的过程和其中制备的新中间体，含有所述治疗活性化合物的制药配方以及使用所述活性化合物治疗与糖原合酶激酶-3（GSK3）相关的疾病的方法。
• Flap modulators
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US09079866B2

  公开（公告）日：2015-07-14

  The present invention relates to compounds of Formula (I), or a form thereof, wherein ring A, R1, R2, R3, R3′, L, W, and V are as defined herein, useful as FLAP modulators. The invention also relates to pharmaceutical compositions comprising compounds of Formula (I). Methods of making and using the compounds of Formula (I) are also within the scope of the invention.

  本发明涉及公式(I)的化合物或其形式，其中环A、R1、R2、R3、R3′、L、W和V的定义如本文所述，可用于FLAP调节剂。本发明还涉及包含公式(I)化合物的药物组成物。制备和使用公式(I)化合物的方法也属于本发明的范围。
• ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3
  申请人：AstraZeneca AB

  公开号：EP1414801A1

  公开（公告）日：2004-05-06