邻苯二甲酸单哌啶 | 20320-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 邻苯二甲酸单哌啶
• 中文别名: 2-(1-哌啶基羰基)苯甲酸
• 英文名称: Phthalsaeure-monopiperidid
• 英文别名: o-(Piperidinocarbonyl)benzoic acid；2-(piperidine-1-carbonyl)benzoic acid
• CAS: 20320-44-9
• 化学式: C₁₃H₁₅NO₃
• mdl: MFCD00443957
• 分子量: 233.267
• InChiKey: BIUIFJPSZVWHIX-UHFFFAOYSA-N

物化性质

• 沸点：
  439.7±28.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 邻苯二甲酸单哌啶 以 乙醚 为溶剂， 生成 2-(piperidine-1-carbonyl)-benzoic acid methyl ester
  参考文献：
  名称：

  Ion chemistry of phthalamic acids. III. The origin of [M  1]+ ions under electron impact

  摘要：

  AbstractElectron impact mass spectra and collisional activation/mass‐analysed ion kinetic energy spectra of some phthalamic acids and their deuterium labelled analogues suggested that the genesis of [M  1]+ ions is due to the loss of an aromatic hydrogen ortho to the amidic group, as for aromatic amides and thioamides.

  DOI：

  10.1002/oms.1210210608
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 邻苯二甲酸单哌啶
  参考文献：
  名称：

  Piutti, Justus Liebigs Annalen der Chemie, 1885, vol. 227, p. 206

  摘要：

  DOI：

文献信息

• [EN] PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLO[2,3-B]PYRIDINE CDK9 KINASE
  申请人：ABBVIE INC

  公开号：WO2014139328A1

  公开（公告）日：2014-09-18

  Disclosed are compounds of Formula (IIa), wherein R1, R2, R3A, R3B, R3C, R3D, R3E, and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds may be used as agents in the treatment of diseases, including cancer. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (IIa).

  公开的是Formula (IIa)的化合物，其中R1、R2、R3A、R3B、R3C、R3D、R3E和R4如规范中所定义，并且其药用盐。这些化合物可用作治疗疾病，包括癌症的药物。还提供了包含一个或多个Formula (IIa)化合物的药物组合物。
• Substituted Indoles
  申请人：AbbVie Inc.

  公开号：US20170174688A1

  公开（公告）日：2017-06-22

  The invention provides for compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by SUV420H1. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  该发明提供了以下式（I）的化合物 其中R 1 ，R 2 ，R 3 ，R 4 ，R 5 和R 6 具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由SUV420H1介导和调节的疾病和症状中作为药剂是有用的。还提供了由一个或多个式（I）化合物组成的药物组合物。
• PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION, CURED PRODUCT, AND DENTAL MATERIAL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP3895681A1

  公开（公告）日：2021-10-20

  A photopolymerization initiator including a peroxide, a photobase generator, and a photoradical generator; a photocurable composition; a cured product; and a dental material.

  一种光聚合引发剂，包括过氧化物、光碱发生器和光二极体发生器；一种光固化组合物；一种固化产品；以及一种牙科材料。
• Design and synthesis of 6-fluoro-2-naphthyl derivatives as novel CCR3 antagonists with reduced CYP2D6 inhibition
  作者：Ippei Sato、Koichiro Morihira、Hiroshi Inami、Hirokazu Kubota、Tatsuaki Morokata、Keiko Suzuki、Yosuke Iura、Aiko Nitta、Takayuki Imaoka、Toshiya Takahashi、Makoto Takeuchi、Mitsuaki Ohta、Shin-ichi Tsukamoto

  DOI：10.1016/j.bmc.2008.08.006

  日期：2008.9

  In our previous study on discovering novel types of CCR3 antagonists, we found a fluoronaphthalene derivative (1) that exhibited potent CCR3 inhibitory activity with an IC(50) value of 20 nM. However, compound 1 also inhibited human cytochrome P450 2D6 (CYP2D6) with an IC(50) value of 400 nM. In order to reduce its CYP2D6 inhibitory activity, we performed further systematic structural modi. cations on 1. In particular, we focused on reducing the number of lipophilic moieties in the biphenyl part of 1, using Clog D(7.4) values as the reference index of lipophilicity. This research led to the identification of N-(3-exo)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3-(piperidin-1-ylcarbonyl)isonicotinamide 1-oxide (30) which showed comparable CCR3 inhibitory activity (IC(50) = 23 nM) with much reduced CYP2D6 inhibitory activity (IC50 = 29,000 nM) compared with 1. (C) 2008 Elsevier Ltd. All rights reserved.
• PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS
  申请人：AbbVie Inc.

  公开号：EP2970278A1

  公开（公告）日：2016-01-20