2-(吡啶-4-基甲氧基)乙酸 | 116882-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-(吡啶-4-基甲氧基)乙酸
• 英文名称: 2-(pyridin-4-ylmethoxy)acetic acid
• 英文别名: (pyridin-4-ylmethoxy)-acetic acid
• CAS: 116882-98-5
• 化学式: C₈H₉NO₃
• mdl: MFCD20660938
• 分子量: 167.164
• InChiKey: NHAFAQKGBMCEPF-UHFFFAOYSA-N

物化性质

• 沸点：
  368.7±22.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-氯苯基)哌嗪 、 2-(吡啶-4-基甲氧基)乙酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-[4-(4-chloro-phenyl)-piperazin-1-yl]-2-(pyridin-4-ylmethoxy)-ethanone
  参考文献：
  名称：

  4-Aryl piperazine and piperidine amides as novel mGluR5 positive allosteric modulators

  摘要：

  Positive allosteric modulation of metabotropic glutamate receptor 5 (mGluR5) is regarded as a potential novel treatment for schizophrenic patients. Herein we report the synthesis and SAR of 4-aryl piperazine and piperidine amides as potent mGluR5 positive allosteric modulators (PAMs). Several analogs have excellent activity and desired drug-like properties. Compound 2b was further characterized as a PAM using several in vitro experiments, and produced robust activity in several preclinical animal models. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.036

文献信息

• Piperazines and Piperidines as Mglur5 Potentiators
  申请人：Slassi Abdelmalik

  公开号：US20090023711A1

  公开（公告）日：2009-01-22

  Compounds of Formula I or pharmaceutically acceptable salts or solvates thereof: wherein Ar 1 , Ar 2 , A, X, Y, m, n and R 1 , R 2 , R 3 , R 4 and R 5 are as described in the specification, processes for their preparation, pharmaceutical formulations comprising them and their use in therapy, particularly in the therapy of neurological and psychiatric disorders associated with glutamate dysfunction.

  公式I的化合物或其药学上可接受的盐或溶剂化物：其中Ar1，Ar2，A，X，Y，m，n和R1，R2，R3，R4和R5如说明书所述，其制备方法，包括它们的药物制剂以及它们在治疗中的应用，特别是在与谷氨酸功能障碍相关的神经系统和精神障碍的治疗中。
• THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE
  申请人：Popovici-Muller Janeta

  公开号：US20130184222A1

  公开（公告）日：2013-07-18

  Provided are methods of treating a cancer characterized by the presence of a mutant allele of IDH1 comprising administering to a subject in need thereof a compound described here.

  提供了一种治疗癌症的方法，其特征在于存在IDH1基因突变等位基因，包括向需要此类治疗的受试者施用此处所述的化合物。
• Thiazole derivatives
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0928793A1

  公开（公告）日：1999-07-14

  Compounds of formula I as well as pharmaceutically usable salts and esters thereof, wherein R1, R2 and R3 have the significance given in claim 1, inhibit the binding of adhesive proteins to the surface of different types of cell and accordingly influence cell-cell and cell-matrix interactions. They can be used in the form of pharmaceutical preparations in the control or preventon of neoplasms, tumour metastasing, osteoporosis, Paget's disease, diabetic retinopathy, macular degeneration, restenosis following vascular intervention, psoriasis, arthritis, kidney failure as well as infections caused by viruses, bacteria or fungi.

  式 I 的化合物及其药用盐和酯 及其药用盐和酯类，其中 R1、R2 和 R3 具有权利要求 1 所述的意义，可抑制粘附蛋白与不同类型细胞表面的结合，从而影响细胞-细胞和细胞-基质之间的相互作用。它们可以药物制剂的形式用于控制或预防肿瘤、肿瘤转移、骨质疏松症、Paget 病、糖尿病视网膜病变、黄斑变性、血管介入后的再狭窄、牛皮癣、关节炎、肾衰竭以及由病毒、细菌或真菌引起的感染。
• KAMIYA, TAKASHI;NAITO, TOSHIHIKO;NEGI, SHIGETO;KOMATU, YUUKI;KAI, YASUNOB+
  作者：KAMIYA, TAKASHI、NAITO, TOSHIHIKO、NEGI, SHIGETO、KOMATU, YUUKI、KAI, YASUNOB+

  DOI：——

  日期：——
• SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0986551A1

  公开（公告）日：2000-03-22