3,3,3-triphenylpropan-1-amine | 94964-61-1

• 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: 3,3,3-triphenylpropan-1-amine
• 英文别名: (3,3,3-triphenylpropyl)amine；3,3,3-triphenylpropylamine；β-tritylethylamine；3,3,3-triphenyl-propylamine；3,3,3-Triphenyl-propylamin；3-Amino-1.1.1-triphenyl-propan
• CAS: 94964-61-1
• 化学式: C₂₁H₂₁N
• 分子量: 287.404
• InChiKey: AJOZCAUEINWEEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3,3-triphenylpropan-1-amine 在 盐酸 、 sodium ethanolate 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 51.0h， 生成 6-Amino-1-(3,3,3-triphenyl-propyl)-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of heterocycles containing two cytosine or two guanine base-pairing sites. Novel tectons for self-assembly

  摘要：

  The synthesis of 1 and 2 is described, as is the X-ray structure of 1. Tecton 1 contains two DAA hydrogen bonding sites (cytosine-like), while 2 contains two DDA sites (guanosine-like). Tectons 1 and 2 were designed to self-assemble into a helical superstructure. Self-recognition of 1 occurs in the solid state with a novel inclusion of dimethylacetamide solvent. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00103-4
• 作为产物：
  描述：

  三苯基甲醇 在 镍 氨 、 氢气 、 zinc(II) chloride 作用下， 以 1,4-二氧六环 、 溶剂黄146 为溶剂， 生成 3,3,3-triphenylpropan-1-amine
  参考文献：
  名称：

  Schorr,M., Justus Liebigs Annalen der Chemie, 1963, vol. 661, p. 157 - 164

  摘要：

  DOI：

文献信息

• Molecular self-assembly through hydrogen bonding: supramolecular aggregates based on the cyanuric acid-melamine lattice
  作者：Christopher T. Seto、George M. Whitesides

  DOI：10.1021/ja00056a014

  日期：1993.2

  Reaction of the tris(melamine) derivatives hubMr (CnHr- 1,3,5-(CONHC6H4- 3-N(9ryrCnHo-4-C (CHr)r)COC6- H,-2-NHC.,Nr(NHr )(NHCHTCHTC(CHr) r)-5-Brl.) and flexM. (CoHr-1,3,5 (CO:(CHr),OCOC6H I-2-NHCTN)(NH2)( N- HCHTCHT(CU,lrltJ with R,CA (neohexyl isocyanuiate) and R"CA (3,3,3-triphenylpropyt isocy-anurate) in CHClr, respectively, yields ,truiturali.r- well-defined supramoleculir aggregates hubMq(R'CA)3

  这些自组装结构是设计、合成程序的第一步。并开发表征超分子的方法
• AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS
  申请人：Kolczewski Sabine

  公开号：US20100210592A1

  公开（公告）日：2010-08-19

  The invention relates to the use of compounds of formula I wherein the substituents are described in the description and claims for the treatment of psychoses, dysfunction in memory and learning, schizophrenia, dementia, attention deficit disorders or Alzheimer's disease. The invention also relates to some compounds of formula I and pharmaceutical compositions containing them.

  本发明涉及使用式I中的化合物，其中取代基在描述和权利要求中描述，用于治疗精神病、记忆和学习功能障碍、精神分裂症、痴呆症、注意力缺陷障碍或阿尔茨海默病。本发明还涉及一些式I的化合物和含有它们的药物组合物。
• Peptoids incorporating chemoselective functionalities
  申请人：——

  公开号：US20020169281A1

  公开（公告）日：2002-11-14

  Molecules having potential biological activity, particularly peptoids, that are conjugated to solid phase supports, spacer groups, and/or ligation moieties, and methods of their preparation, are described. In some instances, the molecules of the invention are made entirely by solid phase synthesis. In other instances, the spacer groups are hydrophilic and compositions containing them, and to solid phase synthesis of varied structure peptoids using chemoselective ligation moieties.

  本发明描述了与固相支持物、间隔基团和/或连接分子共轭的具有潜在生物活性的分子，特别是类蛋白胨，以及它们的制备方法。在某些情况下，本发明的分子完全是通过固相合成制成的。在另一些情况下，间隔基团是亲水性的，含有它们的组合物，以及使用化学选择性连接分子固相合成不同结构的蛋白胨。
• 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.
• Glucocorticoid receptor modulators
  申请人：Pfizer Products Inc.

  公开号：EP1201660B1

  公开（公告）日：2005-08-31