3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylamine | 152356-79-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylamine
• 英文别名: 3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-amine；3-methoxy-(6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)amine；3-Methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
• CAS: 152356-79-1
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: DBALLBFRVFFESN-UHFFFAOYSA-N

物化性质

• 沸点：
  316.8±42.0 °C(Predicted)
• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-N-[5-[2-iodo-1-[(triethylsilyl)-oxy]ethyl]-2-(phenylmethoxy)phenyl]methanesulfonamide 、 3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylamine 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成 N-[2-benzyloxy-5-[(1R)-1-hydroxy-2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo-cyclohepten-6-ylamino)ethyl]phenyl]methanesulfonamide
  参考文献：
  名称：

  Propanolamine derivatives

  摘要：

  这项发明涉及新的丙醇胺衍生物或其盐，其化学式如下所示：1其中每个符号如规范中定义，或具有选择性肠道交感神经兴奋作用、抗溃疡、抗胰腺炎、脂解作用、抗尿失禁和抗尿频活性的盐，以及其制备方法、包含相同的药物组合物以及用于预防和/或治疗规范中指示的疾病的方法，适用于人类或动物。

  公开号：

  US20020120148A1
• 作为产物：
  描述：

  3-methoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-6-one 在 palladium on activated charcoal 氢气 、 三乙酰氧基硼氢化钠 作用下， 生成 3-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-ylamine
  参考文献：
  名称：

  Novel Potent Antagonists of Human Neuropeptide Y Y5 Receptors. Part 3: 7-Methoxy-1-hydroxy-1-substituted Tetraline Derivatives

  摘要：

  As a part of our continuing research on NPY-Y5 receptor antagonists in the series of novel 6-methoxybenzo[a]cycloheptene derivatives, we discovered a novel skeleton, 7-methoxy-1-hydroxytetraline 7 which had been used as an intermediate, to be more suitable for increasing potencies leading to compound 3 (FR230481). Additionally. we discovered that the naphthalenesulfonamide moiety which was thought to be an essential pharmacophore could be replaced by the 5-chlorobenzothiazolin-3-acetic acid moiety to lead to potent compound 4 (FR233118). The structure-activity relationships on compounds 3, 4 and their related derivatives are described. Unfortunately. although compounds 3 and 4 had very high affinities for Y5 receptors, their poor permeabilities to brain were shown by exo-vivo binding assays when orally administered. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00018-5

文献信息

• Ethanolamine derivatives having sympathomimetic and anti-pollakiuria
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05387710A1

  公开（公告）日：1995-02-07

  This invention relates to new ethanolamine derivatives having gut selective sympathomimetic and anti-pollakiuria activities and represented by the general formula [I]: ##STR1## wherein R.sup.1 is aryl or a heterocyclic group, each of which may be substituted with halogen, etc., R.sup.2 is hydrogen, halogen, nitro, hydroxy, lower alkyl optionally substituted with acyl, lower alkenyl optionally substituted with acyl, lower alkoxy optionally substituted with acyl, or amino optionally substituted with acyl(lower)alkyl, R.sup.3 is hydrogen, an N-protective group, or lower alkyl optionally substituted with lower alkylthio, n is an integer of 0 to 3, and a heavy solid line means a single bond or a double bond, provided that when n is 1, then 1) R.sup.1 is a condensed aromatic hydrocarbon group or a heterocyclic group, each of which may be substituted with halogen, etc., and the like, and pharmaceutically acceptable salts thereof to processes for the preparation thereof and to a pharmaceutical composition comprising the same.

  这项发明涉及具有肠道选择性交感兴奋作用和抗多尿活性的新乙醇胺衍生物，其通式为[I]：其中R.sup.1是芳基或杂环基，每个都可以用卤素等取代，R.sup.2是氢、卤素、硝基、羟基、可选择用酰基取代的较低烷基、可选择用酰基取代的较低烯基、可选择用酰基取代的较低烷氧基、或者可选择用酰基（较低）烷基取代的氨基，R.sup.3是氢、N-保护基，或者可选择用较低烷基硫代取代的较低烷基，n是0到3的整数，重实线表示单键或双键，但当n为1时，则1）R.sup.1是缩合芳香烃基或杂环基，每个都可以用卤素等取代，等等，以及其药学上可接受的盐，以及制备它们的方法和包含相同的药物组合。
• Use of beta 3 adrenergic receptor agonists in the treatment of dysuria
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1382333A2

  公开（公告）日：2004-01-21

  The application relates to the use of a β3 adrenergic receptor agonist selected from the group consisting of formulas (IV),(V),(VI),(VII) and (VIII) for the manufacture of a medicament for the prophylactic and/or the therapeutic treatment of dysuria. In the above formulae, the various groups, substituents and variables have the meanings given in the description.

  本申请涉及选自式(IV)、(V)、(VI)、(VII)和(VIII)组成的组中的β3 肾上腺素能受体激动剂的用途。 用于制造预防和/或治疗排尿困难的药物。在上式中，各基团、取代基和变量具有说明中给出的含义。
• ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0583485A1

  公开（公告）日：1994-02-23
• PROPANOLAMINE DERIVATIVES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1070046A1

  公开（公告）日：2001-01-24
• US5387710A
  申请人：——

  公开号：US5387710A

  公开（公告）日：1995-02-07