2-氯-5-(4-氯苯基)烟腈 | 35982-99-1

• 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-氯-5-(4-氯苯基)烟腈
• 英文名称: 2-chloro-5-(4-chlorophenyl)-3-pyridinecarbonitrile
• 英文别名: 2-chloro-5-(4-chloro-phenyl)-nicotinonitrile；2-Chlor-5-p-chlorphenyl-nicotinonitril；2-Chloro-5-(4-chlorophenyl)nicotinonitrile；2-chloro-5-(4-chlorophenyl)pyridine-3-carbonitrile
• CAS: 35982-99-1
• 化学式: C₁₂H₆Cl₂N₂
• mdl: MFCD00231583
• 分子量: 249.099
• InChiKey: LZLIPWXJWNAMQJ-UHFFFAOYSA-N

物化性质

• 熔点：
  182-184°C
• 沸点：
  402.0±45.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-氯-5-(4-氯苯基)烟腈 在 氨 作用下， 以 二甲基亚砜 为溶剂， 生成 2-氨基-5-(4-氯苯基)吡啶-3-甲腈
  参考文献：
  名称：

  1-Benzoyl-3-(arylphyridyl)urea compounds

  摘要：

  本发明涉及作为杀虫剂有用的1-苯甲酰基-3-(芳基吡啶基)脲化合物。

  公开号：

  US04405552A1
• 作为产物：
  描述：

  对氯苯乙酸 在 sodium methylate 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 2-氯-5-(4-氯苯基)烟腈
  参考文献：
  名称：

  Design, Synthesis, and Activity of a Series of Arylpyrid-3-ylmethanones as Type I Positive Allosteric Modulators of α7 Nicotinic Acetylcholine Receptors

  摘要：

  A series of novel arylpyrid-3-ylmethanones (7a-aa) were designed as modulators of alpha 7 nicotinic acetylcholine receptors (nAChRs). The methanones were found to be type I positive allosteric modulators (PAMs) of human alpha 7 nAChRs expressed in Xenopus ooctyes. Structure-activity relationship (SAR) studies resulted in the identification of compound 7v as a potent and efficacious type I PAM with maximum modulation of a nicotine EC5 response of 1200% and EC50 = 0.18 mu M. Compound 7z was active in reversing the effect of scopolamine in the novel object recognition (NOR) paradigm with a minimum effective ip dose of 1.0 mg/kg (2.7 mu mol/kg). This effect was blocked by the selective alpha 7 nAChR antagonist methyllycaconitine (MLA). These compounds are nAChRs that may have therapeutic value in restoring impaired sensory Alzheimer's disease. potent type I positive allosteric modulators of alpha 7 gating and cognitive deficits in schizophrenia and Alzheimer's disease.

  DOI：

  10.1021/jm400704g

文献信息

• Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20040209865A1

  公开（公告）日：2004-10-21

  The present invention relates to alkyne compounds of general formula I 1 wherein the groups and residues A, B, W, X, Y, Z, R 1 and R 2 have the meanings given in claim 1 . The invention further relates to pharmaceutical compositions containing at least one alkyne according to the invention. In view of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及一般式I的炔烃化合物 1 其中基团和残基A、B、W、X、Y、Z、R 1 和R 2 具有权利要求中给出的含义。本发明还涉及含有根据本发明至少一种炔烃的药物组合物。鉴于它们的MCH受体拮抗活性，根据本发明的药物组合物适用于治疗代谢紊乱和/或进食紊乱，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。
• [DE] NEUE ALKIN-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL<br/>[EN] NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES ALKINE A ACTIVITE ANTAGONISTE CONTRE MCH ET MEDICAMENTS CONTENANT CES COMPOSES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2004039780A1

  公开（公告）日：2004-05-13

  Die vorliegende Erfindung betrifft Alkin-Verbindungen der allgemeinen Formel (I), in der die Gruppen und Reste A, B, W, X, Y, Z, R1 und R2 die in Anspruch 1 angegebenen Bedeutungen aufweisen. Ferner betrifft die Erfindung Arzneimittel enthaltend mindestens ein erfindungsgemäßes Alkin. Auf Grund der MCH­-Rezeptor antagonistischen Aktivität eignen sich die erfindungsgemäßen Arzneimittel zur Behandlung von metabolischen Störungen und/oder Essstörungen, insbesondere von Obesitas, Bulimie, Anorexie, Hyperphagia und Diabetes.

  本发明涉及一般式（I）的炔基化合物，其中基团和残基A、B、W、X、Y、Z、R1和R2具有权利要求1中所述的含义。此外，该发明涉及含有至少一种本发明炔基化合物的药物。由于MCH受体拮抗活性，本发明药物适用于治疗代谢紊乱和/或进食障碍，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。
• 1-Benzoyl-3-(arylpyridyl)urea compounds
  申请人：Eli Lilly and Company

  公开号：US04508722A1

  公开（公告）日：1985-04-02

  The present invention is directed to 1-benzoyl-3-(arylpyridyl)urea compounds useful as insecticides.

  本发明涉及作为杀虫剂有用的1-苯甲酰基-3-(芳基吡啶基)脲类化合物。
• ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS
  申请人：Stenkamp Dirk

  公开号：US20090069282A1

  公开（公告）日：2009-03-12

  The present invention relates to alkyne compounds of general formula I wherein the groups and residues A, B, W, X, Y, Z, R 1 and R 2 have the meanings given in claim 1. The invention further relates to pharmaceutical compositions containing at least one alkyne according to the invention. In view of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及一般式I的炔化合物，其中A、B、W、X、Y、Z、R1和R2的基团和残基具有权利要求1中给出的含义。本发明还涉及包含至少一种根据本发明的炔烃的制药组合物。鉴于它们的MCH受体拮抗活性，根据本发明的制药组合物适用于治疗代谢性疾病和/或进食障碍，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。
• Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds
  申请人：ELI LILLY AND COMPANY

  公开号：EP0060071A1

  公开（公告）日：1982-09-15

  Novel compounds of the formula (I): wherein each R is independently H, Br, Cl, F, CH3, or OCH3 X = 0 or S; n = P-1; R' is independently Cl, Br, CH3, or CH3CH2; m = 0-2; and R2 is an optionally substituted phenyl radical, can be prepared by reacting a 2-substituted or 2,6-disubstituted benzoyl isocyanate or isothiocyanate with a 2- or 3-pyridylamine, and are particularly effective insecticidal agents.

  式（I）的新型化合物：其中每个 R 独立地是 H、Br、Cl、F、CH3 或 OCH3 X = 0 或 S；n = P-1；R'独立地是 Cl、Br、CH3 或 CH3CH2；m = 0-2；R2 是任选取代的苯基，可通过 2-取代或 2,6-二取代苯甲酰异氰酸酯或异硫氰酸酯与 2-或 3-吡啶胺反应制备，是特别有效的杀虫剂。