3-cyano-6-((4-methoxybenzyl)oxy)benzaldehyde | 325457-68-9

• 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: 3-cyano-6-((4-methoxybenzyl)oxy)benzaldehyde
• 英文别名: 3-formyl-4-[(4-methoxyphenyl)methoxy]benzonitrile
• CAS: 325457-68-9
• 化学式: C₁₆H₁₃NO₃
• 分子量: 267.284
• InChiKey: RRFZXPYYOWWZDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-cyano-6-((4-methoxybenzyl)oxy)benzaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 3-((E)-3-Bromo-propenyl)-4-(4-methoxy-benzyloxy)-benzonitrile
  参考文献：
  名称：

  Benzimidazole-Based fXa inhibitors with improved thrombin and trypsin selectivity

  摘要：

  Optimization of the benzimidazole-based fXa inhibitors for selectivity versus thrombin and trypsin was achieved by substitution on the benzimidazole ring and replacement of the naphthylamidine group. Substitution of a nitro group at the 4-position on the benzimidazole improves both potency against fXa and selectivity versus thrombin. Alternatively, replacement of the naphthylamidine with either a biphenylamidine or propenylbenzamidine not only improves fXa potency and selectivity versus thrombin, but selectivity versus trypsin as well. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00145-2
• 作为产物：
  描述：

  5-bromo-2-((4-methoxybenzyl)oxy)benzaldehyde 生成 3-cyano-6-((4-methoxybenzyl)oxy)benzaldehyde
  参考文献：
  名称：

  Benzenamine derivatives as anti-coagulants

  摘要：

  这项发明涉及式（I）的苯胺衍生物：其中A、W、m、n、R1、R2、R3、R4、R5和R6在此处定义。这些化合物可用作抗凝剂。

  公开号：

  US06350761B1

文献信息

• BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS
  申请人：BERLEX LABORATORIES, INC.

  公开号：EP1200405A1

  公开（公告）日：2002-05-02
• US6350761B1
  申请人：——

  公开号：US6350761B1

  公开（公告）日：2002-02-26
• [EN] BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS<br/>[FR] DERIVES DE LA BENZENAMINE SERVANT D'ANTICOAGULANTS
  申请人：BERLEX LAB

  公开号：WO2001009093A1

  公开（公告）日：2001-02-08

  This invention is directed to benzenamine derivatives of formula (I): wherein A, W, m, n, R?1, R2, R3, R4, R5 and R6¿ are defined herein. These compounds are useful as anti-coagulants.
• Benzimidazole-Based fXa inhibitors with improved thrombin and trypsin selectivity
  作者：Kenneth J. Shaw、William J. Guilford、Brian D. Griedel、Steve Sakata、Lan Trinh、Shung Wu、Wei Xu、Zuchun Zhao、Michael M. Morrissey

  DOI：10.1016/s0960-894x(02)00145-2

  日期：2002.5

  Optimization of the benzimidazole-based fXa inhibitors for selectivity versus thrombin and trypsin was achieved by substitution on the benzimidazole ring and replacement of the naphthylamidine group. Substitution of a nitro group at the 4-position on the benzimidazole improves both potency against fXa and selectivity versus thrombin. Alternatively, replacement of the naphthylamidine with either a biphenylamidine or propenylbenzamidine not only improves fXa potency and selectivity versus thrombin, but selectivity versus trypsin as well. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Benzenamine derivatives as anti-coagulants
  申请人：Berlex Laboratories, Inc.

  公开号：US06350761B1

  公开（公告）日：2002-02-26

  This invention is directed to benzenamine derivatives of formula (I): wherein A, W, m, n, R1, R2, R3, R4, R5 and R6 are defined herein. These compounds are useful as anti-coagulants.

  这项发明涉及式（I）的苯胺衍生物：其中A、W、m、n、R1、R2、R3、R4、R5和R6在此处定义。这些化合物可用作抗凝剂。