3-pyridinylacetyl chloride hydrochloride

• 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
• 英文名称: 3-pyridinylacetyl chloride hydrochloride
• 英文别名: 3-pyridylacetyl chloride hydrochloride；pyridin-3-yl-acetyl chloride; hydrochloride；2-(pyridin-3-yl)acetylchloride hydrochloride；Pyridin-3-ylacetyl chloride hydrochloride；2-pyridin-3-ylacetyl chloride;hydrochloride
• 化学式: C₇H₆ClNO*ClH
• 分子量: 192.045
• InChiKey: IFXVYHOVMXZTIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  30
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-pyridinylacetyl chloride hydrochloride 在 palladium on activated charcoal 三氯化铝 、 甲酸 、 氢气 作用下， 以 四氢呋喃 、 二硫化碳 、 乙醚 、 乙醇 为溶剂， 25.0~90.0 ℃ 、344.73 kPa 条件下， 反应 111.0h， 生成 6-(1-Pyridin-3-ylmethyl-hexyl)-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  3,4-Dihydroquinolin-2(1H)-ones as combined inhibitors of thromboxane A2 synthase and cAMP phosphodiesterase

  摘要：

  A series of 1H-imidazol-1-yl- and 3-pyridyl-substituted 3,4-dihydroquinolin-2(1H)-ones was designed and synthesized as combined inhibitors of thromboxane (TXA2) synthase and cAMP phosphodiesterase (PDE) in human blood platelets. A number of structures, e.g. 4b, 7a, 7e, 13a, and 21-25, were superior to dazoxiben 26 as inhibitors of TXA2 synthase in in vitro ADP-induced aggregation experiments with human blood platelets. The TXA2 synthase inhibitory activity was confirmed by measurement of the prostanoid metabolites derived from C-14-labeled arachidonic acid. Three compounds (7a, 7e, and 25) demonstrated in vitro inhibition of human platelet cAMP PDE at micromolar concentrations in conjunction with their TXA2 synthase inhibitory activity. Synergistic enhancement of antiaggregatory and antithrombotic actions was expected when simultaneous stimulation of adenylate cyclase (through increased PGI2 production) and inhibition of platelet cAMP PDE were possible from the same compound. Ex vivo and in vivo experiments were conducted in rats and mice, respectively, to evaluate the effects of compounds 7e and 23 on platelet aggregation and thrombotic events within these animals. Compound 7e, which has a comparable level of TXA2 synthase (IC50 1.2-mu-M) and human platelet cAMP PDE (IC50 6.4-mu-M) inhibitory activities, was found to be orally bioavailable with a long duration of action and offered effective protection against mortality in a collagen-epinephrine-induced pulmonary thromboembolism model in mice. Significant blood pressure and heart rate effects were observed for several compounds, e.g. 7e, 9e, 13a, 13d, 18, 20, 21, and 23, when dosed orally in conscious spontaneously hypertensive rats.

  DOI：

  10.1021/jm00082a002
• 作为产物：
  描述：

  3-吡啶乙酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-pyridinylacetyl chloride hydrochloride
  参考文献：
  名称：

  P2X4 RECEPTOR ANTAGONIST

  摘要：

  公开号：

  EP2803662B1

文献信息

• QUINOLINONE DERIVATIVES
  申请人：GlaxoSmithKline LLC

  公开号：US20150238480A1

  公开（公告）日：2015-08-27

  The present invention relates to compounds of the formula (I), salts thereof, to pharmaceutical compositions containing them and their use in medicine. In particular, the invention relates to compounds as activators of AMPK.

  本发明涉及式(I)的化合物及其盐，含有它们的制药组合物以及它们在医学上的应用。特别地，本发明涉及化合物作为AMPK激活剂的应用。
• P2X4 receptor antagonist
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US09382236B2

  公开（公告）日：2016-07-05

  The present invention relates to a diazepine derivative represented by the following general formula (I) (in the formula, R1 and R2 represent hydrogen atom and the like, or R1 and R2 bind together to form a naphthalene ring and the like together with the benzene ring to which they bind, R3 and R4 represent hydrogen atom and the like, R5 represents hydrogen atom and the like, R6 and R7 represent hydrogen atom and the like, X represents C, CH or N, Y represents N, NH or C(═O), provided that when X is N, Y is not N or NH, and when X is C or CH, Y is not C(═O), Z represents oxygen atom or sulfur atom, A represents benzene ring and the like, B represents NHC(═O) and the like, D represents an atomic bond and the like, E represents an atomic bond and the like, G represents benzene which may be substituted and the like, and m represents an integer of 0 to 5) or a pharmacologically acceptable salt thereof, and a P2X4 receptor antagonist.

  本发明涉及一种二氮杂吡啶衍生物，其由下述通式（I）表示（在该式中，R1和R2表示氢原子等，或者R1和R2结合在一起形成萘环等，与它们结合的苯环一起，R3和R4表示氢原子等，R5表示氢原子等，R6和R7表示氢原子等，X表示C、CH或N，Y表示N、NH或C（=O），前提是当X为N时，Y不是N或NH，当X为C或CH时，Y不是C（=O），Z表示氧原子或硫原子，A表示苯环等，B表示NHC（=O）等，D表示原子键等，E表示原子键等，G表示苯环，可以被取代等，m表示0至5的整数），或其药学上可接受的盐，以及P2X4受体拮抗剂。
• Semisynthetic Penicillins. IV. Pyridylmethylpenicillins and Related Cephalosporins
  作者：R. John. Stedman、Alice C. Swift、Libby S. Miller、Margaret M. Dolan、John R. E. Hoover

  DOI：10.1021/jm00315a017

  日期：1967.5
• US9382236B2
  申请人：——

  公开号：US9382236B2

  公开（公告）日：2016-07-05
• US9855260B2
  申请人：——

  公开号：US9855260B2

  公开（公告）日：2018-01-02