1-(2,3-二氢-1H-茚-4-基)哌嗪 | 796856-40-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(2,3-二氢-1H-茚-4-基)哌嗪
• 英文名称: 4-(1-piperazinyl)indan
• 英文别名: 1-(indan-4-yl)piperazine；1-(2,3-Dihydro-1H-inden-4-yl)piperazine
• CAS: 796856-40-1
• 化学式: C₁₃H₁₈N₂
• 分子量: 202.299
• InChiKey: GJOBEWYDAQTKDU-UHFFFAOYSA-N

物化性质

• 沸点：
  378.9±30.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-(2,3-二氢-1H-茚-4-基)哌嗪 、 4-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yloxy)-butyraldehyde 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 7-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
  参考文献：
  名称：

  Discovery of PF-00217830: Aryl piperazine napthyridinones as D2 partial agonists for schizophrenia and bipolar disorder

  摘要：

  The synthesis and structure-activity relationship (SAR) of a novel series of aryl piperazine napthyridinone D-2 partial agonists is described. Our goal was to optimize the affinities for the D-2, 5-HT2A and 5-HT1A receptors, such that the D-2/5-HT2A ratio was greater than 5 to ensure maximal occupancy of these receptors when the D-2 occupancy reached efficacious levels. This strategy led to identification of PF-00217830 (2) with robust inhibition of sLMA (MED = 0.3 mg/kg) and DOI-induced head twitches in rats (31% and 78% at 0.3 and 1 mg/kg) with no catalepsy observed at the highest dose tested (10 mg/kg). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.059

文献信息

• Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands
  申请人：Capet Marc

  公开号：US20080214542A1

  公开（公告）日：2008-09-04

  The invention concerns compounds of general formula (I), a method for preparing same, as well as their use as therapeutic agent.

  这项发明涉及一般式（I）的化合物，以及制备这些化合物的方法，以及它们作为治疗剂的用途。
• [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia
  申请人：Clark D. Jerry

  公开号：US20050043309A1

  公开（公告）日：2005-02-24

  This invention relates to compounds of the formula 1 wherein G, D, A, Z, Q, X, Y, R 1 , and R 4 through R 7 are defined as in the specification, processes for preparing the same and intermediates used in making the same, and pharmaceutical compositions containing such compounds and their use in the treatment of central nervous system disorders and other disorders.

  这项发明涉及公式1的化合物 其中G、D、A、Z、Q、X、Y、R 1 和R 4 至R 7 的定义如规范中所述，制备这些化合物的方法以及用于制备这些化合物的中间体，以及含有这些化合物的药物组合物及其在治疗中枢神经系统疾病和其他疾病中的用途。
• [EN] [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA<br/>[FR] [1,8]NAPHTYRIDIN-2-ONES ET COMPOSES APPARENTES DESTINES AU TRAITEMENT DE LA SCHIZOPHRENIE
  申请人：WARNER LAMBERT CO

  公开号：WO2005019215A1

  公开（公告）日：2005-03-03

  This invention relates to compounds of the Formula (1) wherein G, A, Z, Q, X, Y, and R1 and R2 are defined as in the specification, pharmaceutical compositions containing them and their use in the treatment of central nervous system and other disorders.

  本发明涉及式（1）的化合物，其中G，A，Z，Q，X，Y和R1和R2如规范中所定义，包含它们的制药组合物以及它们在治疗中枢神经系统和其他疾病中的应用。
• [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA
  申请人：Clark D. Jerry

  公开号：US20060287310A1

  公开（公告）日：2006-12-21

  This invention relates to compounds of the formula 1 wherein G, D, A, Z, Q, X, Y, R 1 , and R 4 through R 7 are defined as in the specification, processes for preparing the same and intermediates used in making the same, and pharmaceutical compositions containing such compounds and their use in the treatment of central nervous system disorders and other disorders.

  本发明涉及式1的化合物，其中G、D、A、Z、Q、X、Y、R1和R4至R7如规范中所定义，制备该化合物的过程以及用于制备该化合物的中间体，以及含有该化合物的制药组合物及其在治疗中枢神经系统疾病和其他疾病中的应用。
• Cyclohexylamides as Dopamine D3, D2 and 5Ht1a Antagonists
  申请人：Againe Csongor Eva

  公开号：US20080103140A1

  公开（公告）日：2008-05-01

  The present invention relates to new dopamine D 3 and D 2 and serotonin 5-HT 1A receptor subtype preferring ligands of formula (I); wherein A represents alkyl, alkenyl, aryl, heteroaryl, cycloalkyl or a group of formula —NR 1 R 2 , wherein R 1 and R 2 represent independently a substituent selected from hydrogen, alkyl, alkenyl, aryl, heteroaryl or cycloalkyl or R 1 and R 2 form with the adjacent nitrogen atom and optionally with further heteroatom(s) a heterocyclic ring; m is an integer of 0 to 1; n is an integer of 1 to 2, and/or geometric isomers and/or stereoisomers and/or diastereomers and/or salts and/or hydrates and/or solvates thereof, to the processes for producing the same, to pharmacological compositions containing the same and to their use in therapy and/or prevention of a condition which requires modulation of dopamine and/or 5-HT 1A receptors.

  本发明涉及一种新的多巴胺D3和D2以及血清素5-HT1A受体亚型偏好配体，其化学式为（I）;其中A代表烷基，烯基，芳基，杂环芳基，环烷基或式—NR1R2的基团，其中R1和R2独立地表示选择自氢，烷基，烯基，芳基，杂环芳基或环烷基的取代基，或者R1和R2与相邻的氮原子以及可选的其他杂原子形成杂环环；m为0到1的整数；n为1到2的整数，以及其几何异构体和/或立体异构体和/或对映异构体和/或盐和/或水合物和/或溶剂化物，以及制备它们的方法，包含它们的药理组合物以及它们在治疗和/或预防需要调节多巴胺和/或5-HT1A受体的疾病中的应用。