(4-环己基苯基)-乙腈 | 29030-58-8

• 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-环己基苯基)-乙腈
• 英文名称: p-Cyclohexylphenylacetonitril
• 英文别名: 2-(4-Cyclohexylphenyl)acetonitrile
• CAS: 29030-58-8
• 化学式: C₁₄H₁₇N
• mdl: MFCD09923848
• 分子量: 199.296
• InChiKey: UNBNFPZJBCKFKR-UHFFFAOYSA-N

物化性质

• 熔点：
  38 °C
• 沸点：
  189-192 °C(Press: 12 Torr)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-环己基苯基)-乙腈 在 氢氧化钾 作用下， 生成 2-(4-环己基苯基)乙酸
  参考文献：
  名称：

  Buu-Hoi; Cagniant, Bulletin de la Societe Chimique de France, 1944, vol. <5> 11, p. 127,133

  摘要：

  DOI：
• 作为产物：
  描述：

  环己基苯 在 zinc(II) chloride 作用下， 生成 (4-环己基苯基)-乙腈
  参考文献：
  名称：

  Carenini; Carissimi; D'Ambrosio, Farmaco, Edizione Scientifica, 1973, vol. 28, # 4, p. 265 - 277

  摘要：

  DOI：

文献信息

• Potential Antiinflammatory Agents. II. Synthesis and Structure-Activity Relationships of 6-Chloro-5-cyclohexylindan-1-carboxylic Acid (TAI-284) and Related 5-Substituted Indan-1-carboxylic Acids
  作者：SHUNSAKU NOGUCHI、SHOJI KISHIMOTO、ISAO MINAMIDA、MIKIHIKO OBAYASHI

  DOI：10.1248/cpb.22.529

  日期：——

  6-Chloro-5-cyclohexylindan-1-carboxylic acid (TAI-284) and related 5-substituted indan-1-carboxylic acids were prepared for the evaluation of antiinflammatory action. Among them, TAI-284 showed the most potent activity, comparable to that of indomethacin. The replacement of the cyclohexyl moiety at C-5 by other alkyl groups such as isobutyl or isopropyl, or the removal of the chlorine atom at C-6 resulted in a considerable reduction of the activities. The resolution of TAI-284 was effected with quinine, and it was found that the antiinflammatory activity virtually resided in the dextro isomer, the absolute configuration of which was assigned the sinister series by the optical rotatory dispersion spectrum and X-ray crystarography.

  为评估抗炎作用，制备了 6-氯-5-环己基茚满-1-羧酸（TAI-284）和相关的 5-取代茚满-1-羧酸。其中，TAI-284 的活性最强，与吲哚美辛相当。用异丁基或异丙基等其他烷基取代 C-5 位的环己基，或去除 C-6 位的氯原子，都会大大降低其活性。用奎宁对 TAI-284 进行了解析，发现其抗炎活性实际上存在于右旋异构体中。
• Hydronaphthalene carboxylic acids and derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US03968142A1

  公开（公告）日：1976-07-06

  Compounds of the formula ##EQU1## in which Ph represents an ortho-phenylene radical which contains in position 4 or 5 an unsubstituted or substituted hydrocarbon radical of aliphatic character, R represents a lower alkyl radical or especially a hydrogen atom, Z represents a free, esterified or amidated carboxyl group, A represents an ethylene radical and X stands for two hydrogen atoms or especially for an oxo group, are useful as chemotherapeutic and prophylactic agents against pain and inflammation.

  式子为##EQU1##的化合物中，Ph代表一个含有未取代或取代的脂肪族性质的烷基的4或5位未取代的邻苯基，R代表一个低碳烷基或特别是一个氢原子，Z代表一个自由、酯化或酰胺化的羧基，A代表一个乙烯基，X代表两个氢原子或特别是一个氧代基，这些化合物可用作化疗和预防剂，用于治疗疼痛和炎症。
• Identification and Preliminary Characterization of a Potent, Safe, and Orally Efficacious Inhibitor of Acyl-CoA:Diacylglycerol Acyltransferase 1
  作者：Vince S. C. Yeh、David W. A. Beno、Sevan Brodjian、Michael E. Brune、Steven C. Cullen、Brian D. Dayton、Madhup K. Dhaon、Hugh D. Falls、Ju Gao、Nelson Grihalde、Philip Hajduk、T. Matthew Hansen、Andrew S. Judd、Andrew J. King、Russel C. Klix、Kelly J. Larson、Yau Y. Lau、Kennan C. Marsh、Scott W. Mittelstadt、Dan Plata、Michael J. Rozema、Jason A. Segreti、Eric J. Stoner、Martin J. Voorbach、Xiaojun Wang、Xili Xin、Gang Zhao、Christine A. Collins、Bryan F. Cox、Regina M. Reilly、Philip R. Kym、Andrew J. Souers

  DOI：10.1021/jm201524g

  日期：2012.2.23

  A high-throughput screen against human DGAT-1 led to the identification of a core structure that was subsequently optimized to afford the potent, selective, and orally bioavailable compound 14. Oral administration at doses >= 0.03 mg/kg significantly reduced postprandial triglycerides in mice following an oral lipid challenge. Further assessment in both acute and chronic safety pharmacology and toxicology studies demonstrated a clean profile up to high plasma levels, thus culminating in the nomination of 14 as clinical candidate ABT-046.
• US3968142A
  申请人：——

  公开号：US3968142A

  公开（公告）日：1976-07-06
• US4572794A
  申请人：——

  公开号：US4572794A

  公开（公告）日：1986-02-25