ethyl 2-(4-hydrazinophenyl)-2-methylpropanoate | 192643-90-6

• 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: ethyl 2-(4-hydrazinophenyl)-2-methylpropanoate
• 英文别名: Ethyl 2-(4-hydrazinophenyl)-2-methylpropionate；thyl 2-(4-hydrazinophenyl)-2-methylpropanoate；Ethyl4-hydrazinyl-alpha,alpha-dimethylbezneacetate；ethyl 2-(4-hydrazinylphenyl)-2-methylpropanoate
• CAS: 192643-90-6
• 化学式: C₁₂H₁₈N₂O₂
• 分子量: 222.287
• InChiKey: YZHOQTLDPBAQPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  343.9±25.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(4-hydrazinophenyl)-2-methylpropanoate 在 甲醇 、 1-氯-N,N,2-三甲基丙烯胺 、 sodium hydride 、 溶剂黄146 、 三乙胺 、 potassium hydroxide 、 zinc(II) chloride 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-(3,5-bis(trifluoromethyl)phenyl)-1-(2-(tert-butylamino)-2-oxoethyl)-1H-indol-5-yl)-N-tert-butyl-2-methylpropanamide
  参考文献：
  名称：

  A potent and selective indole N-type calcium channel (Cav2.2) blocker for the treatment of pain

  摘要：

  N-type calcium channels (Ca(v)2.2) have been shown to play a critical role in pain. A series of low molecular weight 2-aryl indoles were identified as potent Ca(v)2.2 blockers with good in vitro and in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.067
• 作为产物：
  描述：

  a,a-二甲基-4-硝基-苯乙酸乙酯 在 盐酸 、 tin(II) chloride dihdyrate 、 10% palladium on activated carbon 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 生成 ethyl 2-(4-hydrazinophenyl)-2-methylpropanoate
  参考文献：
  名称：

  A potent and selective indole N-type calcium channel (Cav2.2) blocker for the treatment of pain

  摘要：

  N-type calcium channels (Ca(v)2.2) have been shown to play a critical role in pain. A series of low molecular weight 2-aryl indoles were identified as potent Ca(v)2.2 blockers with good in vitro and in vivo potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.067

文献信息

• Antagonists of gonadotropin releasing hormone
  申请人：Merck & Co., Inc.

  公开号：US05756507A1

  公开（公告）日：1998-05-26

  There are disclosed compounds of formula (I) ##STR1## and pharmaceutically acceptable salts thereof which are useful as antagonists of GnRH and as such may be useful for the treatment of a variety of sex-hormone related and other conditions in both men and women.

  公式（I）的化合物及其药学上可接受的盐已被披露，它们可作为GnRH拮抗剂，并因此可能对男性和女性的各种性激素相关和其他疾病的治疗有用。
• [EN] ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE<br/>[FR] ANTAGONISTES DE LA GONADOLIBERINE
  申请人：MERCK & CO INC

  公开号：WO2000004013A1

  公开（公告）日：2000-01-27

  The present invention relates to compounds of formula (I) which are non-peptide antagonists of GnRH which can be used to treat a variety of sex-hormone related conditions in men and women, to methods for their preparation, and to methods and pharmaceutical compositions containing said compounds for use in mammals.

  本发明涉及式(I)的化合物，它们是GnRH的非肽拮抗剂，可用于治疗男性和女性的各种与性激素相关的疾病，以及它们的制备方法和包含所述化合物的方法和制药组合物，用于哺乳动物。
• 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS
  申请人：Chakravarty Prasun K.

  公开号：US20100087446A1

  公开（公告）日：2010-04-08

  2-Substituted indole derivatives represented by Formula I, or pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, calcium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, urinary incontinence, itchiness, allergic dermatitis, epilepsy, diabetic neuropathy, irritable bowel syndrome, depression, anxiety, multiple sclerosis, bipolar disorder and stroke, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds.

  公式I表示的2-取代吲哚衍生物，或其药学上可接受的盐。药物组合物包括有效量的本化合物，单独或与一个或多个其他治疗活性化合物结合，并含有药学上可接受的载体。治疗与钙通道活性相关或由其引起的疾病的方法，包括例如急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛、神经病性疼痛、尿失禁、瘙痒、过敏性皮炎、癫痫、糖尿病神经病变、肠易激综合征、抑郁症、焦虑症、多发性硬化症、躁病和中风，包括单独或与一个或多个其他治疗活性化合物结合的本化合物的有效量的给药。
• Synthesis of chiral β-methyl tryptamine-derived GnRH antagonists
  作者：Joseph P Simeone、Robert L Bugianesi、Mitree M Ponpipom、Mark T Goulet、Mark S Levorse、Ranjit C Desai

  DOI：10.1016/s0040-4039(01)01288-6

  日期：2001.9

  The stereospecific formation of 2-aryl-beta -methyl tryptamine derivatives 15 and 16 from chiral 4-chloro-1-(3,5-dimethylphenyl)-3-methylbutanones is described. These intermediates were further manipulated into the GnRH antagonists Ib and Ic in five steps. (C) 2001 Elsevier Science Ltd. All rights reserved.
• WO2008/133867
  申请人：——

  公开号：——

  公开（公告）日：——