克霉唑杂质9 | 29647-82-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 克霉唑杂质9
• 英文名称: (3-chlorophenyl)(diphenyl)methanol
• 英文别名: (m-Chlorophenyl)diphenyl carbinol；3-chlorophenyldiphenylcarbinol；(3-chloro-phenyl)-diphenyl-methanol；(3-Chlor-phenyl)-diphenyl-methanol；Hydroxy-diphenyl-(3-chlor-phenyl)-methan；m-Chlorphenyldiphenylcarbinol；(3-Chlorophenyl)diphenylmethanol；(3-chlorophenyl)-diphenylmethanol
• CAS: 29647-82-3
• 化学式: C₁₉H₁₅ClO
• 分子量: 294.78
• InChiKey: SYRDONZIYFYBHS-UHFFFAOYSA-N

物化性质

• 熔点：
  53-55 °C
• 沸点：
  431.5±40.0 °C(Predicted)
• 密度：
  1.216±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温密封保存，置于干燥处。

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(3-chlorophenyl)(diphenyl)methyl chloride	59154-29-9	C19H14Cl2	313.226

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(3-chlorophenyl)(diphenyl)methyl chloride	59154-29-9	C19H14Cl2	313.226

反应信息

• 作为反应物：
  描述：

  克霉唑杂质9 在 氯化亚砜 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 1-[(3-氯苯基)二苯甲基]-1H-咪唑
  参考文献：
  名称：

  Bartroli; Alguero; Boncompte, Arzneimittel-Forschung/Drug Research, 1992, vol. 42, # 6, p. 832 - 835

  摘要：

  DOI：
• 作为产物：
  描述：

  4-Chloro-2-(hydroxy-diphenyl-methyl)-benzenesulfinic acid phenylamide 在 盐酸 、 sodium hydroxide 、 溶剂黄146 、 mercury dichloride 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 克霉唑杂质9
  参考文献：
  名称：

  Directed metalation of benzenesulfinamides. A novel route to meta-substituted aromatic compounds

  摘要：

  DOI：

  10.1021/jo00288a015

文献信息

• Reactivities of triarylmethyl and diarylmethyl cations with azide ion investigated by laser flash photolysis. Diffusion-controlled reactions
  作者：Robert A. McClelland、V. M. Kanagasabapathy、Narinder S. Banait、Steen Steenken

  DOI：10.1021/ja00003a040

  日期：1991.1

  By use of the technique of laser flash photolysis, rate constants k AZ and k S have been directly measured for the reactions at 20 o C in acetonitrile-water (AN-W) solutions of varying composition of 18 triarylmethyl and 10 diarylmethyl cations with azide and solvent. The cations have k S that depend on substituent and vary from ∼10 1 to ∼10 7 s −1 . For the more stable ions k AZ also varies, increasing

  通过使用激光闪光光解技术，已经直接测量了在 20 o C 下在 18 个三芳基甲基和 10 个二芳基甲基阳离子与叠氮化物的不同组成的乙腈-水 (AN-W) 溶液中反应的速率常数 k AZ 和 k S和溶剂。阳离子具有取决于取代基的k S 并且从～10 1 到～10 7 s -1 变化。对于更稳定的离子，k AZ 也发生变化，随着给电子量的减少而增加，并且随着乙腈含量的增加而增加多达10 3 。然而，对于不太稳定的阳离子，速率常数与取代基无关
• Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls
  申请人：Koehler Ralf

  公开号：US20090048270A1

  公开（公告）日：2009-02-19

  Methods, compositions and devices for inhibiting neoproliferative changes in blood vessel walls or other anatomical structures. One or more compounds of Formula I or I-A set forth herein are administered systemically and/or locally to human or veterinary patients to deter or prevent unwanted proliferative changes in blood vessels or other anatomical structures. The invention may be used to deter or prevent stenosis or restenosis of arteries following angioplasty and/or stent placement. In one embodiment, there is provided an implantable stent or stent graft from which one or more compounds of the present invention will elute or otherwise be delivered into an affected blood vessel wall.

  本发明提供了抑制血管壁或其他解剖结构中新生增生的方法、组合物和装置。本发明中的公式I或I-A中的一个或多个化合物被系统性和/或局部地用于人类或兽医患者，以防止或预防血管或其他解剖结构中不必要的增生变化。本发明可用于防止或预防血管成形术和/或支架置入后的动脉狭窄或再狭窄。在一种实施方式中，提供了一种可植入的支架或支架移植物，其中本发明的一个或多个化合物将被释放或以其他方式输送到受影响的血管壁中。
• Non-peptide inhibition of T-lymphocyte activation and therapies related thereto
  申请人：Chandy George K.

  公开号：US20070293554A1

  公开（公告）日：2007-12-20

  Compounds, preparations and methods for immunosuppressive treatment of autoimmune disorders, graft rejection and/or graft/host disease. Therapeutically effective amounts of certain substituted triarylmethane compounds, such as 1-[(2-chlorophenyl)diphenylmethyl]-1H-pyrazole, are administered to mammalian patients to selectively inhibit the calcium-activated K + channel (IKCa1) in lymphocytes, monocytes, macrophages, platelets or endothelial cells without concomitant inhibition of P450-dependent enzyme systems, resulting in reduction of antigen-, cytokine-, or mitogen-induced calcium entry through store operated calcium channels in these cells, suppression of cytokine production by these cells, and inhibition of activation of these cells. Such inhibition of the Ca ++ activated K + channel (IKCa1) prevents the pre-Ca ++ stage of cell activation and thus causes immunosuppression and an anti-inflammatory response.

  化合物、制剂和方法用于免疫抑制治疗自身免疫性疾病、移植排斥和/或移植宿主病。将某些取代三芳基甲烷化合物，例如1-[(2-氯苯基)二苯甲基]-1H-吡唑酮，以治疗剂量给哺乳动物患者，以选择性抑制淋巴细胞、单核细胞、巨噬细胞、血小板或内皮细胞中的钙激活K+通道（IKCa1），而不伴随P450依赖性酶系统的抑制，从而减少这些细胞中抗原、细胞因子或诱导剂引起的钙离子进入，抑制这些细胞的细胞因子产生，并抑制这些细胞的激活。这种对Ca++激活的K+通道（IKCa1）的抑制防止了细胞激活的前Ca++阶段，从而引起免疫抑制和抗炎反应。
• Organizational Buying and Advertising Agency-Client Relationships in China
  作者：Gerard Prendergast、Yizheng Shi、Douglas West

  DOI：10.1080/00913367.2001.10673638

  日期：2001.6

  The 1980s and 1990s have seen the development of an interesting, diverse, and relevant body of literature on the advertising agency-client relationship. In recent times, an area of focus has been the application of organizational buying behavior principles to companies that are purchasing advertising services from advertising agencies. However, little is known about the application of such theories in the context of a developing country. After examining the literature relating to China's advertising industry and the application of organizational buying behavior principles in the advertising industry, this article reports on a survey of 200 firms in Shanghai. The results unexpectedly show that advertising agency power in the campaign development process is not related to the nature of the advertising task (new task, modified rebuy, straight rebuy) at hand. In addition, bottom-up processes give agencies the weakest pourer, and the client buying process is dominated by marketers, the salesforce, and public relations, with top managers the primary deciders.
• Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity
  作者：Fang Wang、James A. D. Good、Oliver Rath、Hung Yi Kristal Kaan、Oliver B. Sutcliffe、Simon P. Mackay、Frank Kozielski

  DOI：10.1021/jm201195m

  日期：2012.2.23

  The human mitotic kinesin Eg5 represents a novel mitotic spindle target for cancer chemotherapy. We previously identified S-trityl-L-cysteine (STLC) and related analogues as selective potent inhibitors of Eg5. We herein report on the development of a series of 4,4,4-triphenylbutan-1-amine inhibitors derived from the STLC scaffold. This new generation systematically improves on potency: the most potent C-trityl analogues exhibit K-i(aPP) <= 10 nM and GI(50) approximate to 50 nM, comparable to results from the phase II clinical benchmark ispinesib. Crystallographic studies reveal that they adopt the same overall binding configuration as S-trityl analogues at an allosteric site formed by loop L5 of Eg5. Evaluation of their druglike properties reveals favorable profiles for future development and, in the clinical candidate ispinesib, moderate hERG and CYP inhibition. One triphenylbutanamine analogue and ispinesib possess very good bioavailability (51% and 45%, respectively), with the former showing in vivo antitumor growth activity in nude mice xenograft studies.