7-{3-(3-chloro-4-fluoro-phenyl)-1-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid dimethylamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 7-{3-(3-chloro-4-fluoro-phenyl)-1-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid dimethylamide
• 英文别名: 7-(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)ureido)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide；3-(3-chloro-4-fluorophenyl)-1-[7-(dimethylsulfamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[3-(4-methylpiperazin-1-yl)propyl]urea
• 化学式: C₂₇H₃₇ClFN₅O₃S
• 分子量: 566.14
• InChiKey: CJUIALFFVKEFNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  84.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(3-氨丙基)-4-甲基哌嗪 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 7-{3-(3-chloro-4-fluoro-phenyl)-1-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid dimethylamide
  参考文献：
  名称：

  Discovery of tetralin ureas as potent melanin concentrating hormone 1 receptor antagonists

  摘要：

  Melanin concentrating hormone (MCH) plays an important role in the regulation of food intake and energy balance in mammals. MCH-1 receptor (MCH1R) deficient mice are lean and resistant to diet-induced obesity. As such, MCH1R antagonists are believed to have potential as possible treatments for obesity. The discovery of a novel class of tetralin ureas as potent MCH1R antagonists is described herein. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.080

文献信息

• Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders
  申请人：Guo Tao

  公开号：US20060111360A1

  公开（公告）日：2006-05-25

  The present invention discloses compounds of Formula I wherein V, W, Y, Z, R 1 , R 2 , R 3 , R 4 , d, m, n, p and r are herein defined, said compounds being novel antagonists for melanin-concentrating hormone (MCH), as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such MCH antagonists as well as methods of using them to treat obesity, metabolic disorders, eating disorders such as hyperphagia, and diabetes.

  本发明公开了I式化合物，其中V、W、Y、Z、R1、R2、R3、R4、d、m、n、p和r在此定义，所述化合物是黑色素浓集激素（MCH）的新型拮抗剂，以及制备这种化合物的方法。在另一实施例中，本发明公开了包含这种MCH拮抗剂的药物组合物，以及使用它们治疗肥胖症、代谢紊乱、食欲失调（如暴食）、糖尿病的方法。
• BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS
  申请人：Pharmacopeia Drug Discovery, Inc.

  公开号：EP1807409A2

  公开（公告）日：2007-07-18
• US7550467B2
  申请人：——

  公开号：US7550467B2

  公开（公告）日：2009-06-23
• [EN] BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS<br/>[FR] COMPOSES BICYCLIQUES UTILISES COMME ANTAGONISTES DU RECEPTEUR D'HORMONE CONCENTRANT LA MELANINE SELECTIFS DESTINES AU TRAITEMENT DE L'OBESITE ET DE TROUBLES ASSOCIES
  申请人：PHARMACOPEIA DRUG DISCOVERY

  公开号：WO2006044293A2

  公开（公告）日：2006-04-27

  [EN] The present invention discloses compounds of Formula I [CHEMICAL FORMULA should be inserted here as it appears in abstract in paper form] Formula I wherein V, W, Y, Z, R1, R2, R3, R4, d, m, n, p and r are herein defined, said compounds being novel antagonists for melanin concentrating hormone (MCH), as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such MCH antagonists as well as methods of using them to treat obesity, metabolic disorders, eating disorders such as hyperphagia, and diabetes.
  [FR] La présente invention concerne des composés représentés par la formule I. Dans cette formule V, W, Y, Z, R1, R2, R3, R4, d, m, n, p et r sont tels que définis dans les descriptions, ces composés étant de nouveaux antagonistes de l'hormone concentrant la mélanine (MCH), ainsi que des techniques de préparation de ces composés. Dans un autre mode de réalisation, cette convention concerne des compositions pharmaceutiques comprenant ces antagonistes MCH ainsi que des techniques d'utilisation de ceux-ci pour traiter l'obésité, des troubles du métabolisme, des troubles alimentaires tels que l'hyperphagie et le diabète.
• Discovery of tetralin ureas as potent melanin concentrating hormone 1 receptor antagonists
  作者：Tao Guo、Huizhong Gu、Doug W. Hobbs、Dennis E. Busler、Laura L. Rokosz

  DOI：10.1016/j.bmcl.2006.12.080

  日期：2007.3

  Melanin concentrating hormone (MCH) plays an important role in the regulation of food intake and energy balance in mammals. MCH-1 receptor (MCH1R) deficient mice are lean and resistant to diet-induced obesity. As such, MCH1R antagonists are believed to have potential as possible treatments for obesity. The discovery of a novel class of tetralin ureas as potent MCH1R antagonists is described herein. (c) 2006 Elsevier Ltd. All rights reserved.