2-(3,4-dichlorophenyl)butanoic acid | 30038-18-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3,4-dichlorophenyl)butanoic acid
• 英文别名: 2-<3,4-Dichlor-phenyl>-buttersaeure；2-(3,4-Dichlor-phenyl)-buttersaeure
• CAS: 30038-18-7
• 化学式: C₁₀H₁₀Cl₂O₂
• 分子量: 233.094
• InChiKey: AGRABJOLCYBTRV-UHFFFAOYSA-N

物化性质

• 沸点：
  338.6±27.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3,4-dichlorophenyl)butanoic acid 在 硫酸 、 氨 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 erythro-3-Amino-2-<3.4-dichlor-phenyl>-buttersaeure-aethylester
  参考文献：
  名称：

  Bellasio; Vigevani; Cristiani, Farmaco, Edizione Scientifica, 1970, vol. 25, # 6, p. 409 - 421

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二氯苯乙腈 在 sodium hydroxide 、 氢溴酸 作用下， 以 乙醇 为溶剂， 生成 2-(3,4-dichlorophenyl)butanoic acid
  参考文献：
  名称：

  Bellasio; Vigevani; Cristiani, Farmaco, Edizione Scientifica, 1970, vol. 25, # 6, p. 409 - 421

  摘要：

  DOI：

文献信息

• Highly Enantioselective Direct Alkylation of Arylacetic Acids with Chiral Lithium Amides as Traceless Auxiliaries
  作者：Craig E. Stivala、Armen Zakarian

  DOI：10.1021/ja205107x

  日期：2011.8.10

  A direct, highly enantioselective alkylation of arylacetic acids via enediolates using a readily available chiral lithium amide as a stereodirecting reagent has been developed. This approach circumvents the traditional attachment and removal of chiral auxiliaries used currently for this type of transformation. The protocol is operationally simple, and the chiral reagent is readily recoverable.

  已经开发出使用容易获得的手性氨基锂作为立体定向试剂通过烯二醇对芳基乙酸进行直接、高度对映选择性的烷基化。这种方法绕过了目前用于此类转化的手性助剂的传统附着和去除。该方案操作简单，手性试剂易于回收。
• Discovery of a Series of 2-Phenyl-<i>N</i>-(2-(pyrrolidin-1-yl)phenyl)acetamides as Novel Molecular Switches that Modulate Modes of K_v7.2 (KCNQ2) Channel Pharmacology: Identification of (<i>S</i>)-2-Phenyl-<i>N</i>-(2-(pyrrolidin-1-yl)phenyl)butanamide (ML252) as a Potent, Brain Penetrant K_v7.2 Channel Inhibitor
  作者：Yiu-Yin Cheung、Haibo Yu、Kaiping Xu、Beiyan Zou、Meng Wu、Owen B. McManus、Min Li、Craig W. Lindsley、Corey R. Hopkins

  DOI：10.1021/jm300700v

  日期：2012.8.9

  A potent and selective inhibitor of KCNQ2, (S)-5 (ML252, IC50 = 69 nM), was discovered after a high-throughput screen of the MLPCN library was performed. SAR studies revealed a small structural change (ethyl group to hydrogen) caused a functional shift from antagonist to agonist activity (37, EC50 = 170 nM), suggesting an interaction at a critical site for controlling gating of KCNQ2 channels.
• AUBARD, GILBERT;CALVET, ALAIN;GOURE, CLAUDE;GROUHET, AGNES;JACOBELLI, HEN+
  作者：AUBARD, GILBERT、CALVET, ALAIN、GOURE, CLAUDE、GROUHET, AGNES、JACOBELLI, HEN+

  DOI：——

  日期：——
• AKT PROTEIN KINASE INHIBITORS
  申请人：Array Biopharma, Inc.

  公开号：EP1684694A2

  公开（公告）日：2006-08-02
• [EN] AKT PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTEINE KINASE AKT
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2005051304A2

  公开（公告）日：2005-06-09

  The present invention provides compounds, including resolved enantiomers, diastereomers, solvates and pharmaceutically acceptable salts thereof, comprising the Formula: A-L-CR where CR is a cyclical core group, L is a linking group and A is as defined herein. Also provided are methods of using the compounds of this invention as AKT protein kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer.