4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazineethanamine | 161312-73-8

• 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: 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazineethanamine
• 英文别名: 2-[4-(2,3-Dihydro-benzo[1,4]dioxinyl-5-yl)-piperazin-1-yl]-ethylamine；1-(2-Amino-1-ethyl)-4-(1,4-benzodioxan-5-yl)piperazine；2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanamine
• CAS: 161312-73-8
• 化学式: C₁₄H₂₁N₃O₂
• 分子量: 263.34
• InChiKey: YBOBVLITLCFBJV-UHFFFAOYSA-N

物化性质

• 沸点：
  422.6±45.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  51
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazineethanamine 、 环己甲酰氯 在 氮气 、 正己烷 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以to yield the hydrochloride semihydrate salt of the titled compound (0.25 g, 80%) as a white solid的产率得到
  参考文献：
  名称：

  N-substituted imide derivatives with serotonergic activity

  摘要：

  公式（I）的化合物，其中R2，Y，X和n如规范所定义，这些化合物可用于治疗与血清素能神经元相关疾病有关的疾病。

  公开号：

  US06306859B1
• 作为产物：
  描述：

  1-(2,3-二氢-1,4-苯并二烷-5-基)哌嗪盐酸盐 在 镍 氢氧化钾 、 氢气 、 N,N-二异丙基乙胺 、 sodium iodide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 26.0h， 生成 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazineethanamine
  参考文献：
  名称：

  A Series of N4-Imidoethyl Derivatives of 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazine as 5-HT1A Receptor Ligands: Synthesis and Structure-Affinity Relationships

  摘要：

  A series of unsubstituted and substituted succinimido, maleimido, and glutarimidoethyl derivatives of eltoprazine (3) was synthesized and tested for affinity for the 5-HT1A receptor in rat brain homogenates. The unsubstituted compounds have a moderate affinity for the receptor, while the affinity considerably increases by substitution at or enlargement of these cyclic ring systems. A good correlation was found between the inhibition constant K-i (expressed as pK(i)) and the lipophilicity (clogP). No correlation was observed between the pK(i) or pK(i)(+) (local. inhibition constant) and the basicity of the N4-nitrogen atom.

  DOI：

  10.1021/jm00021a020

文献信息

• [EN] SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME<br/>[FR] DERIVES SUBSTITUES D'ALKYLAMINOPYRIDAZINONE, PROCEDES DE PREPARATION ET COMPOSITION PHARMACEUTIQUE LES CONTENANT
  申请人：EGYT GYOGYSZERVEGYESZETI GYAR

  公开号：WO2003027097A1

  公开（公告）日：2003-04-03

  The invention relates to new substituted alkylaminopyridazinone derivatives of the general Formula (I), (wherein R1 is hydrogen or alkyl having 1-4 carbon atoms; one of X and Y stands for hydrogen or halogen and the other represents a group of the general Formula (II), R2 is hydrogen or alkyl having 1-4 carbon atoms; n is 1, 2 or 3; R3 stands for hydrogen, alkyl having 1-4 carbon atoms or aryl-(C1-4 alkyl); Z stands for oxygen; or R3 and Z together with the groups placed between them form a piperazine ring; and R4 stands for hydrogen, halogen, trifluoromethyl or alkoxy having 1-4 carbon atoms) and pharmaceutically acceptable acid addition salts thereof. The invention compounds are useful in the treatment of anxiolytic conditions and cognitive disorders.

  本发明涉及一种新的取代烷基氨基吡嗪酮衍生物，其通式为（I），其中R1为氢或具有1-4个碳原子的烷基；X和Y中的一个代表氢或卤素，另一个代表通式（II）的基团，R2为氢或具有1-4个碳原子的烷基；n为1、2或3；R3代表氢、具有1-4个碳原子的烷基或芳基-(C1-4烷基)；Z代表氧；或R3和Z与它们之间放置的基团一起形成哌嗪环；R4代表氢、卤素、三氟甲基或具有1-4个碳原子的烷氧基；以及其药学上可接受的酸加盐。本发明化合物在治疗抗焦虑症和认知障碍方面有用。
• Fused benzo compounds containing a nitrogen heterocycle for the
  申请人：H. Lundbeck A/S

  公开号：US05753661A1

  公开（公告）日：1998-05-19

  Fused benzo compounds of formula I are provided, wherein A is a 2 to 6 membered hydrocarbon spacer group, B is a polar divalent group selected from a group (a); U is C, N or CH; X is a divalent 3-4 membered chain optionally comprising one or more heteroatoms; R.sup.1 is an aliphatic hydrocarbon group, arylalkyl or diphenylalkyl; R.sup.2 and R.sup.3 are hydrogen or alkyl or together form an ethylene or propylene bridge; R.sup.4, R.sup.5 and R.sup.6 are hydrogen or substituents; R.sup.7 and R.sup.8 are hydrogen or substituents including --COOR.sup.9 and --CONR.sup.10 R.sup.11 ; are 5-HT.sub.1A receptor ligands useful in the treatment of CNS disorders. Pharmaceutical compositions comprising the compounds and their use for the manufacture of a pharmaceutical preparation are also provided.

  提供了化学式I的融合苯化合物，其中A是2至6个成员的烃间隔基，B是从组（a）中选择的极性双价基团；U是C，N或CH；X是双价的3-4个成员的链，可选包括一个或多个杂原子；R.sup.1是脂肪烃基，芳基烷基或二苯基烷基；R.sup.2和R.sup.3是氢或烷基，或一起形成乙烯或丙烯桥；R.sup.4，R.sup.5和R.sup.6是氢或取代基；R.sup.7和R.sup.8是氢或取代基，包括--COOR.sup.9和--CONR.sup.10R.sup.11；它们是5-HT.sub.1A受体配体，用于治疗中枢神经系统疾病。还提供了包含这些化合物的制药组合物及其用于制备制药制剂的用途。
• Fused benzo compounds for the treatment of central nervous system
  申请人：H. Lundbeck A/S

  公开号：US06140331A1

  公开（公告）日：2000-10-31

  ##STR1## Fused benzo compounds of formula (I), wherein A is a 2 to 6 membered hydrocarbon spacer group, B is a polar divalent group selected from SO, SO.sub.2, and a group (a); U is C, N or CH; X is a divalent 3-4 membered chain optionally comprising one or more heteroatoms; R.sup.1 is an aliphatic hydrocarbon group, arylalkyl or diphenylalkyl; R.sup.2 and R.sup.3 are hydrogen or alkyl or together form an ethylene or propylene bridge; R.sup.4, R.sup.5 and R.sup.6 are hydrogen or substituents; R.sup.7 and R.sup.8 are hydrogen or substituents including, a group --COOR.sup.9 and a group --CONR.sup.10 R.sup.11 ; are 5-HT.sub.1A receptor ligands useful in the treatment of CNS disorders. Pharmaceutical compositions comprising the compounds and their use for the manufacture of a pharmaceutical preparation are also disclosed.

  式（I）的熔合苯化合物，其中A是2-6成员的烃间隔基，B是极性二价基团，选自SO、SO.sub.2和一个基团（a）；U是C、N或CH；X是二价的3-4成员链，可包含一个或多个杂原子；R.sup.1是脂肪烃基，芳基烷基或二苯基烷基；R.sup.2和R.sup.3是氢或烷基，或共同形成乙烯或丙烯桥；R.sup.4、R.sup.5和R.sup.6是氢或取代基；R.sup.7和R.sup.8是氢或取代基，包括一个羧酸酯基团--COOR.sup.9和一个羧酰氨基团--CONR.sup.10R.sup.11；是5-HT.sub.1A受体配体，对CNS疾病的治疗有用。还公开了包含该化合物的药物组合物及其用于制造药物制剂的用途。
• Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same
  申请人：——

  公开号：US20040242873A1

  公开（公告）日：2004-12-02

  The invention relates to new substituted alkylaminopyridazinone derivatives of the general Formula (I), (wherein R 1 is hydrogen or alkyl having 1-4 carbon atoms; one of X and Y stands for hydrogen or halogen and the other represents a group of the general Formula (II), R 2 is hydrogen or alkyl having 1-4 carbon atoms; n is 1, 2 or 3; R 3 stands for hydrogen, alkyl having 1-4 carbon atoms or aryl-(C 1-4 alkyl); Z stands for oxygen; or R 3 and Z together with the groups placed between them form a piperazine ring; and R 4 stands for hydrogen, halogen, trifluoromethyl or alkoxy having 1-4 carbon atoms) and pharmaceutically acceptable acid addition salts thereof. The invention compounds are useful in the treatment of anxiolytic conditions and cognitive disorders. 1

  本发明涉及通式（I）的新取代烷基氨基哒嗪酮衍生物（其中 R 1 是氢或具有 1-4 个碳原子的烷基；X 和 Y 中的一个代表氢或卤素，另一个代表通式（II）的基团，R 2 是氢或具有 1-4 个碳原子的烷基；n 是 1、2 或 3；R 3 代表氢、具有 1-4 个碳原子的烷基或芳基-(C 1-4 烷基）；Z 代表氧；或 R 3 和 Z 与它们之间的基团一起构成一个哌嗪环；以及 R 4 代表氢、卤素、三氟甲基或具有 1-4 个碳原子的烷氧基）及其药学上可接受的酸加成盐。本发明化合物可用于治疗抗焦虑症状和认知障碍。 1
• FUSED BENZO COMPOUNDS
  申请人：H. LUNDBECK A/S

  公开号：EP0673375B1

  公开（公告）日：1999-02-24