4,4'-[4-[Bis(phenylmethyl)amino]-1-methylbutylidene]-bisphenol | 188108-09-0

• 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: 4,4'-[4-[Bis(phenylmethyl)amino]-1-methylbutylidene]-bisphenol
• 英文别名: 4-[5-(dibenzylamino)-2-(4-hydroxyphenyl)pentan-2-yl]phenol
• CAS: 188108-09-0
• 化学式: C₃₁H₃₃NO₂
• 分子量: 451.609
• InChiKey: XZNDGXXMJGOQSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  环己亚胺 、 聚合甲醛 、 4,4'-[4-[Bis(phenylmethyl)amino]-1-methylbutylidene]-bisphenol 以 乙醇 、 水 为溶剂， 生成 4,4'-[4-[Bis(phenylmethyl)amino]-1-methyl-butylidene]bis[2-[(hexahydro-1H-azepin-1yl)methyl]phenol]
  参考文献：
  名称：

  Synthesis and biological activity of substituted bis-(4-hydroxyphenyl)methanes as N-type calcium channel blockers

  摘要：

  Voltage activated calcium channel (VACC) blockers have been demonstrated to have utility in the treatment of stroke and pain. A series of aminomethyl substituted phenol derivatives has been identified with good functional activity and selectivity for N-type VACC's over sodium and potassium channels. The methods of synthesis and preliminary pharmacology are discussed herein. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00404-7
• 作为产物：
  描述：

  双酚酸 在 lithium aluminium tetrahydride 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 4,4'-[4-[Bis(phenylmethyl)amino]-1-methylbutylidene]-bisphenol
  参考文献：
  名称：

  Synthesis and biological activity of substituted bis-(4-hydroxyphenyl)methanes as N-type calcium channel blockers

  摘要：

  Voltage activated calcium channel (VACC) blockers have been demonstrated to have utility in the treatment of stroke and pain. A series of aminomethyl substituted phenol derivatives has been identified with good functional activity and selectivity for N-type VACC's over sodium and potassium channels. The methods of synthesis and preliminary pharmacology are discussed herein. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00404-7

文献信息

• Substituted phenols as novel calcium channel blockers
  申请人：Warner-Lambert Company

  公开号：US06124280A1

  公开（公告）日：2000-09-26

  The present invention relates to novel substituted phenols and derivatives thereof useful in the treatment of neurological disorders. Methods of preparing the compounds, intermediates useful in the preparation and pharmaceutical compositions containing the compounds are also includes.

  本发明涉及一种新的取代苯酚及其衍生物，其在神经系统疾病治疗中有用。本发明还包括制备该化合物的方法、在制备中有用的中间体以及含有该化合物的制药组合物。
• US6124280A
  申请人：——

  公开号：US6124280A

  公开（公告）日：2000-09-26
• [EN] SUBSTITUTED PHENOLS AS NOVEL CALCIUM CHANNEL BLOCKERS<br/>[FR] PHENOLS A SUBSTITUTION UTILISES COMME NOUVEAUX ANTAGONISTES DES CANAUX CALCIQUES LENTS
  申请人：WARNER-LAMBERT COMPANY

  公开号：WO1997005125A1

  公开（公告）日：1997-02-13

  (EN) Compounds of formula (I) are useful for treating disorders in a mammal responsive to the blockade of voltage-gated calcium channels, such as neurological disorders, cerebrovascular disorders and pain.(FR) Des composés de la formule (I) se révèlent efficaces pour le traitement de troubles chez des mammifères sensibles au blocage des canaux calciques lents à grille de tension, troubles tels que des troubles neurologiques ou des atteintes et douleurs vasculaires cérébrales.