2,5-二氯异烟腈 | 102645-35-2

• 物质功能分类: 医药中间体 - 杂环化合物
• 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: 2,5-二氯异烟腈
• 英文名称: 2,5-dichloro-4-pyridinecarbonitrile
• 英文别名: 2,5-dichloro-isonicotinonitrile；4-cyano-2,5-dichloropyridine；3,6-dichloro-4-cyanopyridine；2,5-Dichloroisonicotinonitrile；2,5-dichloropyridine-4-carbonitrile
• CAS: 102645-35-2
• 化学式: C₆H₂Cl₂N₂
• mdl: MFCD13185482
• 分子量: 173.001
• InChiKey: OZACVJUZLULNPG-UHFFFAOYSA-N

物化性质

• 沸点：
  249.7±35.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• 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
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

反应信息

• 作为反应物：
  描述：

  2,5-二氯异烟腈 在 吡啶 、 二氮烯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 反应 14.0h， 生成 N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)-butyramide
  参考文献：
  名称：

  5-Aryl-pyrazolo[3,4-b]pyridines: potent inhibitors of glycogen synthase kinase-3 (GSK-3)

  摘要：

  A novel series of pyrazolo[3,4-b]pyridines has been identified that are potent inhibitors of glycogen synthase kinase-3 (GSK-3). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00134-3
• 作为产物：
  描述：

  2,5-dichloro-4-pyridinecarboxaldehyde oxime 生成 2,5-二氯异烟腈
  参考文献：
  名称：

  TONG, Y. C.

  摘要：

  DOI：

文献信息

• Certain phenoxy-pyridine-carbonitriles having antiviral activity
  申请人：The Dow Chemical Company

  公开号：US04558134A1

  公开（公告）日：1985-12-10

  Substituted pyridines exhibiting antiviral activity are disclosed. Also disclosed are methods of use involving the substituted pyridines as well as compositions comprising a non-toxic, pharmaceutically-acceptable carrier in combination with one or more said substituted pyridines.

  揭示了具有抗病毒活性的取代吡啶。还公开了涉及所述取代吡啶的使用方法，以及包含非毒性、药用可接受载体与一个或多个所述取代吡啶的组合的组合物。
• Pyrimidine derivatives useful as inhibitors of PKC-theta
  申请人：Barbosa J.M. Antonio

  公开号：US20060025433A1

  公开（公告）日：2006-02-02

  Disclosed are novel compounds of formula (I): wherein X, Y, R 1 , R 2 and R 3 are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  披露了公式(I)的新颖化合物：其中X、Y、R1、R2和R3如本文所述定义，它们作为PKC-theta的抑制剂是有用的，因此可用于治疗通过PKC-theta活性介导或维持的多种疾病和失调，包括免疫失调和II型糖尿病。本发明还涉及包含这些化合物的药物组合物、使用这些化合物治疗各种疾病和失调的方法、制备这些化合物的方法以及在这些过程中有用的中间体。
• [EN] GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS<br/>[FR] DÉRIVÉS DE GALACTOPYRANOSYLE UTILES EN TANT QUE MÉDICAMENTS
  申请人：UNIV GENT

  公开号：WO2014001204A1

  公开（公告）日：2014-01-03

  This invention relates to carbamate-containing or thiocarbamate-containing galacto-pyranosyl compounds useful as therapeutic agents and being represented by the structural formula (II), wherein: X is O or S, R is selected from the group consisting of C1-8 alkyl, C3-10 cycloalkyl, aryl-C1-4 alkyl, heterocyclyl-C1-4 alkyl, cycloalkyl-C1-4 alkyl, aryl and heterocyclyl, wherein R is optionally substituted with one or more R9; R2, R3, R4, R6 and R7 are independently selected from the group consisting of hydroxyl and protected hydroxyl groups; R5 is selected from the group consisting C6-30 alkyl and arylalkyl; R8 is C6-30 alkyl; and each R9 is independently selected from the group consisting of halogen, hydroxy, trifluoromethyl, trifluoromethoxy, C1-8 alkoxy, C1-6 alkyl, cyano, methylthio, phenyl, phenoxy, chloromethyl, dichloromethyl, chloro-difluoromethyl, acetyl, nitro, benzyl, heterocyclyl and di-C1-4 alkyl-amino, or a pharmaceutically acceptable salt thereof.

  这项发明涉及含有碳酸酯或硫代碳酸酯的半乳糖基化合物，可作为治疗剂，并由结构式（II）表示，其中：X为O或S，R从以下组中选择：C1-8烷基、C3-10环烷基、芳基-C1-4烷基、杂环基-C1-4烷基、环烷基-C1-4烷基、芳基和杂环基，其中R可选择性地被一个或多个R9取代；R2、R3、R4、R6和R7独立地选自羟基和保护羟基基团；R5选自C6-30烷基和芳基烷基；R8为C6-30烷基；每个R9独立地选自卤素、羟基、三氟甲基、三氟甲氧基、C1-8烷氧基、C1-6烷基、氰基、甲硫基、苯基、苯氧基、氯甲基、二氯甲基、氯二氟甲基、乙酰基、硝基、苄基、杂环基和二C1-4烷基氨基，或其药用可接受盐。
• Pyrazolo[3,4-c]pyridines as gsk-3 inhibitors
  申请人：——

  公开号：US20040077681A1

  公开（公告）日：2004-04-22

  A compound of formula (I) or a derivative thereof, wherein R 1 is unsubstituted or substituted alkyl, unsubstituted or substituted cycloalkyl, unsubstituted or substituted alkenyl, unsubstituted or substituted cycloalkenyl, unsubstituted or substituted aryl, aralkyl wherein the aryl and the alkyl moieties may each independently be unsubstituted or substituted, aralkenyl wherein the aryl and alkenyl moieties may each independently be unsubstituted or substituted, unsubstituted or substituted heterocyclyl, or heterocyclyalkyl wherein the heterocyclyl and the alkyl moieties may each independently be unsubstituted or substituted; and R 2 is unsubstituted or substituted aryl or unsubstituted or substituted heteroaryl, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds and composition in medicine. 1

  公式（I）的化合物或其衍生物，其中R1是未取代或取代的烷基，未取代或取代的环烷基，未取代或取代的烯基，未取代或取代的环烯基，未取代或取代的芳基，芳基烷基，其中芳基和烷基部分可以各自独立地未取代或取代，芳基烯基，其中芳基和烯基部分可以各自独立地未取代或取代，未取代或取代的杂环基，或杂环烷基，其中杂环基和烷基部分可以各自独立地未取代或取代; R2是未取代或取代的芳基或未取代或取代的杂环芳基，制备这种化合物的方法，包括这种化合物的制药组合物以及这种化合物和组合物在医学上的用途。
• Pyridine compounds which are useful as pesticides
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：US05763463A1

  公开（公告）日：1998-06-09

  A pyridine derivative of the formula (I), or its oxide or salt: ##STR1## wherein R.sup.1 is a halogen atom, an alkyl group, etc., R.sup.2 is an alkenyl group, an alkynyl group, an alkoxycarbonyl group, an alkenyloxycarbonyl group, etc., R.sup.3 is a hydrogen atom, etc., R.sup.4 is a halogen atom, a cyano group, a haloalkyl group, etc., each of R.sup.5 and R.sup.6 is a hydrogen atom, etc., Q is a methine group or a nitrogen atom, m is 0 or 1, n is 1 or 2 and r is 1 or 2. Such a compound is useful as a pesticide. The compound of the present invention is a pyridine derivative which is capable of killing or controlling various pests without adversely affecting crop plants and which is readily decomposable and presents no substantial acute toxity to mammals.

  化合物的化学式为（I）的吡啶衍生物，或其氧化物或盐：##STR1## 其中，R.sup.1是卤素原子，烷基等；R.sup.2是烯基基团，炔基基团，烷氧羰基基团，烯氧羰基基团等；R.sup.3是氢原子等；R.sup.4是卤素原子，氰基，卤代烷基等；R.sup.5和R.sup.6中的每一个是氢原子等；Q是甲基基团或氮原子，m为0或1，n为1或2，r为1或2。这种化合物可用作杀虫剂。本发明的化合物是一种吡啶衍生物，能够在不对作物植物产生不利影响的情况下杀死或控制各种害虫，且易于分解，对哺乳动物没有明显的急性毒性。