2-[1-(6-氯-咪唑并[2,1-b]噻唑-5-磺酰基)-1H-吲哚-3-基]-乙胺 | 554403-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 2-[1-(6-氯-咪唑并[2,1-b]噻唑-5-磺酰基)-1H-吲哚-3-基]-乙胺
• 英文名称: WAY181,187
• 英文别名: 2-(1-((6-Chloroimidazo(2,1-b)(1,3)thiazol-5-yl)sulfonyl)-1H-indol-3-yl)ethylamine；2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
• CAS: 554403-49-5
• 化学式: C₁₅H₁₃ClN₄O₂S₂
• 分子量: 380.879
• InChiKey: RYBOXBBYCVOYNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[1-(6-氯-咪唑并[2,1-b]噻唑-5-磺酰基)-1H-吲哚-3-基]-乙胺 在 4-二甲氨基吡啶 二碳酸二叔丁酯 作用下， 以 乙腈 为溶剂， 反应 0.58h， 生成 6-Chloro-5-[3-(2-isocyanatoethyl)indol-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
  参考文献：
  名称：

  Indolylalkylamine metabolites as 5-hydroxytryptamine-6 ligands

  摘要：

  本发明提供了一种I式化合物及其用于治疗与5-HT6受体相关或受其影响的疾病的用途。

  公开号：

  US20060003945A1

文献信息

• SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME
  申请人：Ivashchenko Andrey Alexandrovich

  公开号：US20120071493A1

  公开（公告）日：2012-03-22

  The invention relates to novel substituted 8-sulfonyl-2,3,4,5-tetrahydro-1H-γ-carbolines of the general formula 1 and their pharmaceutically acceptable salt—ligands exhibiting biological activity simultaneously towards alpha-adrenoceptors, dopamine receptors, histamine receptors, imidazoline receptors, sigma receptors, norepinefrine receptors, serotonin receptors, to active components, pharmaceutical compositions, comprising as an active component novel ligands, to novel medicaments intended for treatment of conditions and diseases of central nervous system. In the general formula 1 R 1 represents a substituent selected from hydrogen, optionally substituted C 1 -C 3 alkyl or C 1 -C 4 alkyloxycarbonyl; R 2 represents a cyclic system substituent selected from hydrogen, optionally substituted C 1 -C 3 alkyl, optionally substituted C 2 -C 3 alkenyl or substituted sulfonyl; R 3 represents optionally substituted aryl or substituted amino group.

  该发明涉及一种新型的取代的8-磺酰基-2,3,4,5-四氢-1H-γ-咔啉的化合物，其一般式为1，以及它们的药用盐——配体，同时对α-肾上腺素受体、多巴胺受体、组胺受体、咪唑啉受体、西格玛受体、去甲肾上腺素受体、5-羟色胺受体表现出生物活性的配体，以及作为活性成分的新型配体组成的药物组合物，用于治疗中枢神经系统疾病和病症的新型药物。在一般式1中，R1代表从氢、可选取代的C1-C3烷基或C1-C4烷氧羰基中选择的取代基；R2代表从氢、可选取代的C1-C3烷基、可选取代的C2-C3烯基或取代的磺酰基中选择的环系统取代基；R3代表可选取代的芳基或取代的氨基团。
• Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands
  申请人：Wyeth

  公开号：US20030171353A1

  公开（公告）日：2003-09-11

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment of disorders relating to or affected by the 5-HT6 receptor. 1

  本发明提供了一种I式化合物及其用于治疗与5-HT6受体相关或受其影响的疾病的用途。
• LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF
  申请人：Alla Chem, LLC.

  公开号：EP2236511A2

  公开（公告）日：2010-10-06

  The invention relates to novel ligands the broad spectrum of biological activity of which includes simultaneously α-adrenoceptors, dopamine receptors, histamine receptors, imidazoline receptors and serotonin receptors, among them serotonin 5-HT7 receptors, which are compounds of general formula 1 in the form of free bases, geometrical isomers, racemic mixtures or individual optical isomers, pharmaceutically acceptable salts and/or hydrates, wherein: R1 is a substituent of amino group, selected from hydrogen, optionally substituted C1-C4 alkyl, acyl, heterocyclyl, alkoxycarbonyl, substituted sulfonyl; R2 is a substituent of cyclic system, selected from hydrogen, halogen, optionally substituted C1-C4 alkyl, CF3, CN, alkoxy, alkoxycarbonyl, carboxyl, heterocyclyl or substituted sulfonyl; Ar is optionally substituted aryl not necessarily annalated with heterocyclyl, or optionally substituted aromatic heterocyclyl; W is optionally substituted (CH2)m group, optionally substituted CH=CH group, optionally substituted CH2-CH=CH group, C≡C group, SO2 group; n = 1, 2; m = 1, 2, 3; solid line accompanied by dotted line, i.e. (---) may represent single or double bond. The invention also relates to active ingredients, pharmaceutical compositions comprising the said ligands as active ingredients; to novel medicaments useful for treatment of diseases and conditions of central nervous system (CNS) of humans and warm-blooded animals.

  本发明涉及新型配体，其广泛的生物活性同时包括α-肾上腺素受体、多巴胺受体、组胺受体、咪唑啉受体和血清素受体，其中包括血清素5-HT7受体，这些配体是通式1化合物，其形式为游离碱、几何异构体、外消旋混合物或单个光学异构体、药学上可接受的盐和/或水合物、 其中R1 是氨基的取代基，选自氢、任选取代的 C1-C4 烷基、酰基、杂环基、烷氧羰基、取代的磺酰基； R2 是环状体系的取代基，选自氢、卤素、任选取代的 C1-C4 烷基、CF3、CN、烷氧基、烷氧羰基、羧基、杂环基或取代的磺酰基；Ar 是任选取代的芳基，不一定是环状杂环基，或任选取代的芳香族杂环基； W 是任选取代的 (CH2)m 基团、任选取代的 CH=CH 基团、任选取代的 CH2-CH=CH 基团、C≡C 基团、SO2 基团；n = 1、2；m = 1、2、3；实线伴有虚线，即.即（---）可代表单键或双键。 本发明还涉及活性成分、包含上述配体作为活性成分的药物组合物；涉及用于治疗人类和温血动物中枢神经系统（CNS）疾病和病症的新型药物。
• INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS
  申请人：Wyeth

  公开号：EP1455779B1

  公开（公告）日：2006-08-09
• INDOLYLALKYLAMINE METABOLITES AS 5-HYDROXYTRYTAMINE-6 LIGANDS
  申请人：Wyeth Incoporated

  公开号：EP1758898A1

  公开（公告）日：2007-03-07