4,4,4-triphenylbutan-1-amine | 1357107-77-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4,4,4-triphenylbutan-1-amine
• 英文别名: Triphenylbutanamine
• CAS: 1357107-77-7
• 化学式: C₂₂H₂₃N
• 分子量: 301.431
• InChiKey: PVCHAKQXNCGVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,4,4-三苯基-1-丁烯 在 吡啶 、 sodium tetrahydroborate 、 sodium azide 、 硫酸 、 双氧水 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 二乙二醇二甲醚 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 4,4,4-triphenylbutan-1-amine
  参考文献：
  名称：

  Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity

  摘要：

  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.

  DOI：

  10.1021/jm201195m

文献信息

• VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE
  申请人：Josephson Lee

  公开号：US20120121509A1

  公开（公告）日：2012-05-17

  The present invention provides compositions and methods based on vital fluorochrome conjugates that are useful for imaging dying and dead cells.

  本发明提供了基于活性荧光染料结合物的组合物和方法，用于成像死亡和死亡细胞。
• PIEZOELECTRIC BODY, ULTRASOUND TRANSDUCER, MEDICAL ULTRASOUND DIAGNOSTIC SYSTEM, AND NONDESTRUCTIVE ULTRASOUND TEST SYSTEM
  申请人：Okubo Tsuyoshi

  公开号：US20120116228A1

  公开（公告）日：2012-05-10

  Disclosed is a piezoelectric body having both broad band property and improved piezoelectricity, which can be suitably used for a sensor, an actuator, an ultrasound transducer and the like. The piezoelectric body is featured in that (a) it comprises a laminate structure which is represented by the following general formula, G 2 MX 4 General formula wherein G represents an organic onium, M represents an element of Group IV or a transition metal, and X represents Cl, Br or I, the organic onium G and an inorganic phase MX 4 being alternately superposed on each other in the form of layers; or in that (b) it comprises a composite of a graphene structure and a perovskite structure, the graphene structure being composed of aggregate particles with an average particle size of not more than 200 nm.
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  公开号：US6309564B1

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  公开号：US7531573B2

  公开（公告）日：2009-05-12
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  公开号：US8796908B2

  公开（公告）日：2014-08-05