2-(5-(4-indol-3-ylpiperidyl)pentyl)isoindoline-1,3-dione | 314083-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(5-(4-indol-3-ylpiperidyl)pentyl)isoindoline-1,3-dione
• 英文别名: 1H-Isoindole-1,3(2H)-dione, 2-[5-[4-(1H-indol-3-yl)-1-piperidinyl]pentyl]-；2-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]isoindole-1,3-dione
• CAS: 314083-34-6
• 化学式: C₂₆H₂₉N₃O₂
• 分子量: 415.535
• InChiKey: BCYDBPXNUFAXIU-UHFFFAOYSA-N

物化性质

• 沸点：
  613.5±55.0 °C(Predicted)
• 密度：
  1.222±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(5-(4-indol-3-ylpiperidyl)pentyl)isoindoline-1,3-dione 在 肼 作用下， 以 乙醇 为溶剂， 生成 3-[1-(5-aminopentyl)-4-piperidinyl]-1H-indole
  参考文献：
  名称：

  CCR2B receptor antagonists: conversion of a weak HTS hit to a potent lead compound

  摘要：

  A weak HTS hit at the CCR2B receptor has been converted into a potent antagonist by array SAR studies. Selectivity over the closely related CCR5 receptor is also achieved. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00347-4
• 作为产物：
  描述：

  N-(5-溴戊基)邻苯二甲酰亚胺 、 3-(4’-哌啶基)-1H-吲哚 在 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(5-(4-indol-3-ylpiperidyl)pentyl)isoindoline-1,3-dione
  参考文献：
  名称：

  CCR2B receptor antagonists: conversion of a weak HTS hit to a potent lead compound

  摘要：

  A weak HTS hit at the CCR2B receptor has been converted into a potent antagonist by array SAR studies. Selectivity over the closely related CCR5 receptor is also achieved. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00347-4

文献信息

• &agr;1b-adrenergic receptor antagonists
  申请人：Toray Industries, Inc.

  公开号：US06642228B1

  公开（公告）日：2003-11-04

  There are provided compounds represented by the general formula (I): [wherein Ar is indole etc., R1 is hydrogen etc., B is bond, or B—N—R1 forms a ring structure and is piperidine etc., n is 0, 1, etc., A is trimethylene, butylene, etc., Q is piperidine, isoindoline, etc.], or pharmacologically acceptable acid addition salts thereof, and &agr;1B adrenoceptor antagonists composed of these substances. The invented compounds are antagonists having high affinity for &agr;1B adrenoceptor and are useful as pharmaceutical agents for use in prophylaxis/therapy of diseases (e.g., hypertension) in which &agr;1B adrenoceptor is involved or as pharmacological tools for elucidation of physiological activities mediated by &agr;1B adrenoceptor.

  提供的化合物由一般式(I)表示：[其中Ar是吲哚等，R1是氢等，B是键，或者B-N-R1形成环结构且是哌啶等，n为0、1等，A是三亚甲基、丁二烯等，Q是哌啶、异吲哚等]，或其药理学上可接受的酸盐，以及由这些物质组成的α1B肾上腺素受体拮抗剂。这些发明的化合物是对α1B肾上腺素受体具有高亲和力的拮抗剂，可用作预防/治疗与α1B肾上腺素受体有关的疾病（例如高血压）的药物代理，或作为阐明α1B肾上腺素受体介导的生理活动的药理学工具。
• ALPHA1B-ADRENERGIC RECEPTOR ANTAGONISTS
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1106605A1

  公开（公告）日：2001-06-13

  There are provided compounds represented by the general formula (I): [wherein Ar is indole etc., R1 is hydrogen etc., B is bond, or B-N-R1 forms a ring structure and is piperidine etc., n is 0, 1, etc., A is trimethylene, butylene, etc., Q is piperidine, isoindoline, etc.], or pharmacologically acceptable acid addition salts thereof, and α1B adrenoceptor antagonists composed of these substances. The invented compounds are antagonists having high affinity for α1B adrenoceptor and are useful as pharmaceutical agents for use in prophylaxis/therapy of diseases (e.g., hypertension) in which α1B adrenoceptor is involved or as pharmacological tools for elucidation of physiological activities mediated by α1B adrenoceptor.

  提供了通式(I)所代表的化合物： [其中Ar为吲哚等，R1为氢等，B为键，或B-N-R1形成环状结构且为哌啶等，n为0、1等，A为三亚甲基、丁烯等，Q为哌啶、异吲哚啉等]，或其药理学上可接受的酸加成盐，以及由这些物质组成的α1B肾上腺素受体拮抗剂。本发明化合物是对α1B肾上腺素受体具有高亲和力的拮抗剂，可作为药物制剂用于预防/治疗涉及α1B肾上腺素受体的疾病（如高血压），或作为药理学工具用于阐明α1B肾上腺素受体介导的生理活动。
• US6642228B1
  申请人：——

  公开号：US6642228B1

  公开（公告）日：2003-11-04
• CCR2B receptor antagonists: conversion of a weak HTS hit to a potent lead compound
  作者：Ian T Forbes、David G Cooper、Emma K Dodds、Deirdre M.B Hickey、Robert J Ife、Malcolm Meeson、Martin Stockley、Theo A Berkhout、Jayneeta Gohil、Pieter H.E Groot、Kitty Moores

  DOI：10.1016/s0960-894x(00)00347-4

  日期：2000.8

  A weak HTS hit at the CCR2B receptor has been converted into a potent antagonist by array SAR studies. Selectivity over the closely related CCR5 receptor is also achieved. (C) 2000 Elsevier Science Ltd. All rights reserved.