4-(4-methylpiperidin-1-yl)benzoic acid | 97096-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(4-methylpiperidin-1-yl)benzoic acid
• 英文别名: 4-(4-methylpiperidin-1-yl)-benzoic acid
• CAS: 97096-92-9
• 化学式: C₁₃H₁₇NO₂
• mdl: MFCD04113993
• 分子量: 219.283
• InChiKey: ZIFMYTNXBNDWLU-UHFFFAOYSA-N

物化性质

• 沸点：
  390.3±25.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-(4-methylpiperidin-1-yl)benzoic acid 在 C₄₇H₅₀IrN₂O₃PS*Na⁽¹⁺⁾*F₆P^(1-) 、 氘 作用下， 以 aq. buffer 为溶剂， 生成
  参考文献：
  名称：

  在含氘气或氚气的水性缓冲液中通过均相铱催化进行氢同位素交换

  摘要：

  水或缓冲液中的定向、高选择性氢同位素交换 (HIE) 是一种新的强大工具，用于标记高极性化合物和水性配制目标的氘或氚。

  DOI：

  10.1002/anie.202301512
• 作为产物：
  描述：

  4-(4-甲基哌啶-1-基)苯甲腈 在 氢氧化钾 作用下， 以 二氯甲烷 、 水 、 乙二醇 为溶剂， 生成 4-(4-methylpiperidin-1-yl)benzoic acid
  参考文献：
  名称：

  Substituted N-aryl heterocycles, process for their preparation and their use as medicaments

  摘要：

  这项发明涉及取代N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。式I的化合物 1 其中基团具有所述含义，其N-氧化物及其生理耐受盐以及其制备方法被描述。这些化合物例如适用作为厌食剂。

  公开号：

  US20040220191A1

文献信息

• Norvaline Derivative and Method for Preparation Thereof
  申请人：Harada Naoyuki

  公开号：US20080076769A1

  公开（公告）日：2008-03-27

  Norvaline derivative of the formula [I] or pharmaceutically acceptable salt thereof, method for preparing the same, pharmaceutical composition containing the same, and use of said compound for inhibiting transporting activity of glycine transporter type 2 (GlyT2). [wherein X is —CH 2 —, —O—, —S— or single bond; Ar is optionally substituted aryl or lower cycloalkyl; n is 0 to 2; R 1 and R 2 are (i) each is hydrogen or lower alkyl; (ii) R 1 and R 2 are combined to form lower alkylene; or (iii) R 1 is hydrogen or lower alkyl and R 2 is combined with R 4 or R 6 to form lower alkylene; R 3 and R 4 are (i) each is hydrogen or lower alkyl; (ii) R 3 and R 4 are combined to form lower alkylene; or (iii) R 3 is hydrogen or lower alkyl and R 4 is combined with R 2 or R 6 to form lower alkylene; R is or —OR 7 ; R 5 and R 6 are (i) each is optionally substituted lower alkyl, or hydrogen; (ii) R 5 and R 6 are combined to form aliphatic 5- to 6-membered heterocyclic group; or (iii) R 5 is optionally substituted lower alkyl or hydrogen and R 6 is combined with R 2 or R 4 to form lower alkylene; R 7 is lower alkyl.

  Norvaline衍生物的化学式[I]或其药学上可接受的盐，制备方法，含有该化合物的药物组合物，以及用于抑制甘氨酸转运体2型（GlyT2）的转运活性的用途。[其中X为-CH2-，-O-，-S-或单键；Ar为可选取代芳基或较低的环烷基；n为0至2；R1和R2为（i）氢或较低的烷基；（ii）R1和R2结合形成较低的烷基；或（iii）R1为氢或较低的烷基，R2与R4或R6结合形成较低的烷基；R3和R4为（i）氢或较低的烷基；（ii）R3和R4结合形成较低的烷基；或（iii）R3为氢或较低的烷基，R4与R2或R6结合形成较低的烷基；R为-OH或-OR7；R5和R6为（i）可选取代的较低烷基或氢；（ii）R5和R6结合形成脂肪族5-至6-成员杂环基；或（iii）R5为可选取代的较低烷基或氢，R6与R2或R4结合形成较低的烷基；R7为较低烷基。
• Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments
  申请人：Schwink Lothar

  公开号：US20070207991A1

  公开（公告）日：2007-09-06

  The invention relates to substituted N-aryl heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings the N-oxides and the physiologically tolerated salts thereof and process for the preparation thereof are described. The compounds are suitable for example as anorectic agents.

  该发明涉及取代的N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。描述了公式I中化合物，其中基团具有所述的含义，以及其N-氧化物和生理耐受盐和其制备方法。这些化合物例如适用于作为抑制食欲的药物。
• Development of second generation EP2 antagonists with high selectivity
  作者：Thota Ganesh、Jianxiong Jiang、Ray Dingledine

  DOI：10.1016/j.ejmech.2014.05.076

  日期：2014.7

  EP2 receptor has emerged as an important biological target for therapeutic intervention. In particular, it has been shown to exacerbate disease progression of a variety of CNS and peripheral diseases. Deletion of the EP2 receptor in mouse models recapitulates several features of the COX-2 inhibition, thus presenting a new avenue for anti-inflammatory therapy which could bypass some of the adverse side effects observed by the COX-2 inhibition therapy. We have recently reported a cinnamic amide class of EP2 antagonists with high potency, but these compounds exhibited a moderate selectivity against prostanoid receptor DP1. Moreover they possess acrylamide moiety in the structure, which may result in liver toxicity over longer period of use in a chronic disease model. Thus, we now developed a second generation compounds that devoid of the acrylamide functionality and possess high potency and improved (>1000-fold) selectivity to EP2 over other prostanoid receptors. (C) 2014 Elsevier Masson SAS. All rights reserved.
• [DE] SUBSTITUIERTE N-ARYLHETEROZYKLEN, VERFAHREN ZU IHRER HERSTELLUNG UND IHRE VERWENDUNG ALS ARZNEIMITTEL<br/>[EN] SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS<br/>[FR] N-ARYLHETEROCYCLES SUBSTITUES, PROCEDE DE PRODUCTION ET UTILISATION DE CES DERNIERS EN TANT QUE MEDICAMENTS
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2004072025A3

  公开（公告）日：2004-12-23
• Adomenas, P.; Sirutkaitis, R., Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 124, p. 269 - 276
  作者：Adomenas, P.、Sirutkaitis, R.

  DOI：——

  日期：——