4-氨基-2,3-二甲基苯甲腈 | 478837-24-0

• 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: 4-氨基-2,3-二甲基苯甲腈
• 英文名称: 4-amino-2,3-dimethylbenzonitrile
• CAS: 478837-24-0
• 化学式: C₉H₁₀N₂
• mdl: MFCD18072902
• 分子量: 146.192
• InChiKey: RZLGAKPHIWIALW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氨基-2,3-二甲基苯甲腈 在 碳酸氢钠 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators

  摘要：

  Pharmacokinctic studies in cynomolgus monkeys with a novel prototype selective androgen receptor modulator revealed trace amounts of an aniline fragment released through hydrolytic metabolism. This aniline fragment was determined to be mutagenic in an Ames assay. subsequent concurrent optimization for target activity and avoidance of mutagenicity led to the identification of a pharmacologically superior clinical candidate without mutagenic potential. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.076
• 作为产物：
  描述：

  2,3-二甲基苯胺 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 盐酸 、 sodium hydroxide 、 溴 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-氨基-2,3-二甲基苯甲腈
  参考文献：
  名称：

  Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators

  摘要：

  Pharmacokinctic studies in cynomolgus monkeys with a novel prototype selective androgen receptor modulator revealed trace amounts of an aniline fragment released through hydrolytic metabolism. This aniline fragment was determined to be mutagenic in an Ames assay. subsequent concurrent optimization for target activity and avoidance of mutagenicity led to the identification of a pharmacologically superior clinical candidate without mutagenic potential. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.076

文献信息

• Rho kinase inhibitors
  申请人：——

  公开号：US20040138286A1

  公开（公告）日：2004-07-15

  A compound represented by the formula (1): 1 wherein R 1 —X— indicates that 1 to 4 R 1 —X— groups are present which may be the same or different, the ring A is a saturated or unsaturated 5-membered heterocyclic ring, X is a single bond, a group represented by the formula: —N(R 3 )—, —O— or —S—, or the like. R 1 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, R 2 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, and R 3 is a hydrogen atom, a substituted or unsubstituted alkyl group, or the like; a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is a useful compound as a therapeutic agent for diseases for which Rho kinase is responsible.

  化合物的化学式为（1）：1，其中R1—X—表示存在1到4个R1—X—基团，可以相同也可以不同，环A是饱和或不饱和的5元杂环，X是单键，一个由式子表示的基团：—N（R3）—，—O—或—S—等。R1是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R2是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R3是氢原子，取代或未取代的烷基或类似物；该化合物的前药或药物可接受的盐是治疗Rho激酶相关疾病的有用化合物。
• Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method
  申请人：Li J. James

  公开号：US20080096954A1

  公开（公告）日：2008-04-24

  There are disclosed bicyclic compounds according to formula I, pharmaceutical compositions containing such compounds and methods of using such compounds in the treatment of androgen receptor-associated conditions, such as age-related diseases, for example sarcopenia, wherein R 1 , R 2 , R 5 , X and n are defined herein.

  公开了根据式I的双环化合物，含有这种化合物的药物组合物以及使用这种化合物治疗与雄激素受体相关的疾病的方法，例如年龄相关疾病，例如肌肉萎缩症，其中R1，R2，R5，X和n在此定义。
• NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION
  申请人：LI J. James

  公开号：US20080103188A1

  公开（公告）日：2008-05-01

  There are provided bicyclic compounds according to formula I, pharmaceutical compositions containing such compounds and methods of using such compounds in the treatment of androgen receptor-associated conditions, such as age-related diseases, for example sarcopenia, wherein R 1 , R 2 , R 2 ′, R 5 , G, n and W are defined herein. Other embodiments are also provided.

  提供了根据公式I的双环化合物、含有这种化合物的药物组合物以及使用这种化合物治疗与雄激素受体相关的疾病的方法，例如与年龄相关的疾病，例如肌肉萎缩症，其中R1、R2、R2'、R5、G、n和W在此定义。还提供了其他实施方式。
• SELECTIVE ANDROGEN RECEPTOR MODULATORS
  申请人：Miller Chris P.

  公开号：US20100041721A1

  公开（公告）日：2010-02-18

  This invention provides compounds of formulas I, Ia, Ib, Ic, Id, Ie, If or Ig or salts thereof, pharmaceutical compositions comprising a compound of formulas I, Ia, Ib, Ic, Id, Ie, If or Ig and a pharmaceutically acceptable excipient, methods of modulating the androgen receptor, methods of treating diseases beneficially treated by an androgen receptor modulator (e.g., sarcopenia, prostate cancer, contraception, type 2 diabetes related disorders or diseases, anemia, depression, and renal disease) and processes for making compounds of formulas I, Ia, Ib, Ic, Id, Ie, If or Ig and intermediates useful in the preparation of same.

  本发明提供了I、Ia、Ib、Ic、Id、Ie、If或Ig的化合物或其盐，以及含有I、Ia、Ib、Ic、Id、Ie、If或Ig化合物和药用可接受的载体的药物组合物，调节雄激素受体的方法，治疗通过雄激素受体调节剂有益治疗的疾病的方法（例如肌肉萎缩、前列腺癌、避孕、2型糖尿病相关疾病或疾病、贫血、抑郁症和肾脏疾病），以及制备I、Ia、Ib、Ic、Id、Ie、If或Ig化合物的过程和制备中间体。
• P-Type liquid crystal composition
  申请人：Sato, Hisato

  公开号：EP0255956A3

  公开（公告）日：1989-06-07

  A novel P-type liquid crystal composition comprising N-dimethyl-4-aminobenzonitrile.The composition permits decreasing either or both of Vth and γ values, so that it is advantageously applicable to liquid crystal display elements.

  一种由 N-二甲基-4-氨基苯甲腈组成的新型 P 型液晶组合物。该组合物可以降低 Vth 值和γ 值中的一个或两个值，因此它非常适合用于液晶显示元件。