3-(2-dimethylamino)pyridine | 20173-26-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(2-dimethylamino)pyridine
• 英文别名: 3-<2-(dimethylamino)ethyl>pyridine；N,N-Dimethyl-N-<2-(3-pyridyl)ethyl>amin；3-Pyridylethyl-N-dimethylamin；dimethyl-(2-pyridin-3-yl-ethyl)-amine；N,N-dimethyl-2-(pyridin-3-yl)ethanamine；N,N-dimethyl-2-pyridin-3-ylethanamine
• CAS: 20173-26-6
• 化学式: C₉H₁₄N₂
• 分子量: 150.224
• InChiKey: DZOSVKUXMNMXTK-UHFFFAOYSA-N

物化性质

• 沸点：
  108 °C(Press: 21 Torr)
• 密度：
  0.964±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-dimethylamino)pyridine 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以66 mg的产率得到N,N-dimethyl-2-(pyridine-3-yl)ethanamine*2HCl
  参考文献：
  名称：

  Surface Plasmon Resonance Biosensor Based Fragment Screening Using Acetylcholine Binding Protein Identifies Ligand Efficiency Hot Spots (LE Hot Spots) by Deconstruction of Nicotinic Acetylcholine Receptor α7 Ligands

  摘要：

  The soluble acetylcholine binding protein (AChBP) is a homologue of the ligand-binding domain of the nicotinic acetylcholine receptors (nAChR). To guide future fragment-screening using surface plasmon resonance (SPR) biosensor technology as a label-free, direct binding, biophysical screening assay, a focused fragment library was generated based on deconstruction of a set of alpha 7 nAChR selective quinuclidine containing ligands with nanomolar affinities. The interaction characteristics of the fragments and the parent compounds with AChBP) were evaluated using an SPR biosensor assay. The data obtained from this direct binding assay correlated well with data from the reference radioligand displacement assay. Ligand efficiencies for different (structural) groups of fragments in the library were correlated to binding with distinct regions of the binding pocket, thereby identifying ligand efficiency hot spots (LE hot spots). These hot spots can be used to identity the most promising hit fragments in a large scale fragment library screen.

  DOI：

  10.1021/jm100834y
• 作为产物：
  描述：

  3-乙炔基吡啶 、 盐酸二甲胺 在 sodium cyanoborohydride 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以18%的产率得到3-(2-dimethylamino)pyridine
  参考文献：
  名称：

  Sakamoto, Takao; Nagata, Hideo; Kondo, Yoshinori, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 12, p. 4866 - 4872

  摘要：

  DOI：

文献信息

• PYRIMIDINE COMPOUND
  申请人：Matsushima Yuji

  公开号：US20110053912A1

  公开（公告）日：2011-03-03

  A novel and excellent method for preventing and/or treating diseases related to a cannabinoid type 2 receptor, based on an agonistic action on a cannabinoid type 2 receptor. It was found that a hetero ring derivative mainly having two substituents, for example, a pyrimidine-5-carboxamide derivative having a substituent amino group at the 2-position, exhibits a potent agonistic action on a cannabinoid type 2 receptor, and can be an agent for preventing and/or treating diseases related to a cannabinoid type 2 receptor such as inflammatory diseases, pain, and the like.

  一种预防和/或治疗与大麻素2型受体相关疾病的新颖优秀方法，基于对大麻素2型受体的激动作用。发现一种异核环衍生物主要具有两个取代基，例如，在2-位置具有取代基氨基的嘧啶-5-羧酰胺衍生物，表现出对大麻素2型受体的强效激动作用，可以成为预防和/或治疗与大麻素2型受体相关疾病，如炎症性疾病、疼痛等的药物。
• NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS
  申请人：Edmondson Scott D.

  公开号：US20120225886A1

  公开（公告）日：2012-09-06

  The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of using the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

  本发明提供了公式（I）的化合物，其药物组合物，以及使用它们治疗或预防通过激活β3肾上腺素受体介导的疾病的方法。
• TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Genentech, Inc.

  公开号：US20160185780A1

  公开（公告）日：2016-06-30

  Compounds of Formula 0, Formula I and Formula II and methods of use as Janus kinase inhibitors are described herein.

  本文描述了化学式为0、化学式I和化学式II的化合物以及作为Janus激酶抑制剂的使用方法。
• Maeda, Yasuhiro; Shirai, Naohiro; Sato, Yoshiro, Journal of the Chemical Society. Perkin transactions I, 1994, # 4, p. 393 - 398
  作者：Maeda, Yasuhiro、Shirai, Naohiro、Sato, Yoshiro

  DOI：——

  日期：——
• SAKAMOTO, TAKAO;NAGATA, HIDEO;KONDO, YOSHINORI;SATO, KAORI;YAMANAKA, HIRO+, CHEM. AND PHARM. BULL., 1984, 32, N 12, 4866-4872
  作者：SAKAMOTO, TAKAO、NAGATA, HIDEO、KONDO, YOSHINORI、SATO, KAORI、YAMANAKA, HIRO+

  DOI：——

  日期：——