N-(2,6-dichlorobenzoyl)-4-[1-methyl-6-carboxyl-2,4-quinazoline-dione-3-yl]-L-phenylalanine | 857867-74-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2,6-dichlorobenzoyl)-4-[1-methyl-6-carboxyl-2,4-quinazoline-dione-3-yl]-L-phenylalanine
• 英文别名: 3-[4-[(2S)-2-carboxy-2-[(2,6-dichlorobenzoyl)amino]ethyl]phenyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid
• CAS: 857867-74-4
• 化学式: C₂₆H₁₉Cl₂N₃O₇
• 分子量: 556.359
• InChiKey: SNNFZQUELBUBIP-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(2,6-dichlorobenzoyl)-4-[1-methyl-6-benzyloxycarbonyl-2,4-quinazoline-dione-3-yl]-L-phenylalanine methylester 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 N-(2,6-dichlorobenzoyl)-4-[1-methyl-6-carboxyl-2,4-quinazoline-dione-3-yl]-L-phenylalanine 、 N-(2,6-dichlorobenzoyl)-4-[1-methyl-6-benzyloxycarbonyl-2,4-quinazoline-dione-3-yl]-L-phenylalanine
  参考文献：
  名称：

  Novel phenylalanine derivatives

  摘要：

  特定的苯丙氨酸衍生物及其类似物具有对α4整合素的拮抗活性。它们被用作治疗涉及α4整合素的各种疾病的药物。

  公开号：

  US20050222141A1

文献信息

• NOVEL PHENYLALANINE DERIVATIVES
  申请人：SAGI Kazuyuki

  公开号：US20080108634A1

  公开（公告）日：2008-05-08

  Specific phenylalanine derivatives and analogues thereof have an antagonistic activity to α4 integrin. They are used as therapeutic agents for various diseases concerning α4 integrin.

  特定的苯丙氨酸衍生物及其类似物具有对α4整合素的拮抗活性。它们被用作治疗与α4整合素相关的各种疾病的治疗剂。
• NOVEL PHENYLALANINE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1700850A1

  公开（公告）日：2006-09-13

  Specific phenylalanine derivatives and analogues thereof have an antagonistic activity to α4 integrin. They are used as therapeutic agents for various diseases concerning α 4 integrin.

  特定的苯丙氨酸衍生物及其类似物具有拮抗α4整合素的活性。它们可用作治疗与α4整合素有关的各种疾病的药物。
• Crystals of hydrochloride salts of a Phenylalanine Derivative, Production Method Thereof and Use Thereof as alpha4 integrin Inhibitors
  申请人：Ajinomoto Co., Inc.

  公开号：EP2402326A1

  公开（公告）日：2012-01-04

  The present invention discloses crystals of phenylalanine derivatives which have a specific structural formula, and particularly crystals which are easy to be used; crystals excellent in preservation stability, humidity resistance or solubility; and crystals which can be manufactured on the industrial scale. The present invention also discloses the production method thereof and use thereof, and particularly the use thereof as an active ingredient of pharmaceutical compositions.

  本发明公开了具有特定结构式的苯丙氨酸衍生物晶体，特别是易于使用的晶体；在保存稳定性、防潮性或溶解性方面具有优异性能的晶体；以及可以工业化生产的晶体。本发明还公开了其生产方法和用途，特别是将其用作药物组合物的活性成分。
• Phenylalanine derivatives
  申请人：AJINOMOTO CO., INC.

  公开号：EP2615087A2

  公开（公告）日：2013-07-17

  Specific phenylalanine derivatives and analogues thereof have an antagonistic activity to α 4 integrin. They are used as therapeutic agents for various diseases concerning α 4 integrin.

  特定的苯丙氨酸衍生物及其类似物具有拮抗α 4 整合素的活性。它们可用作治疗与α 4 整合素有关的各种疾病的药物。
• Phenylalanine derivative
  申请人：Ajinomoto Co., Inc.

  公开号：EP1700850B1

  公开（公告）日：2015-07-15