2-tert-butoxycarbonylamino-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester | 894401-46-8

• 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: 2-tert-butoxycarbonylamino-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester
• 英文别名: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate
• CAS: 894401-46-8
• 化学式: C₂₂H₂₈N₄O₄
• 分子量: 412.489
• InChiKey: ZLNZHUZRVNDERM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  93.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-tert-butoxycarbonylamino-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 (E)-2-(2-chloro-6-methylbenzamido)-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester
  参考文献：
  名称：

  THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS

  摘要：

  公开号：

  EP2039687B1
• 作为产物：
  描述：

  2-叔丁氧基羰基氨基-4-戊烯酸 在 palladium diacetate 、 三(邻甲基苯基)磷 potassium carbonate 作用下， 以 甲醇 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-tert-butoxycarbonylamino-5-[4-(methyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid methyl ester
  参考文献：
  名称：

  THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS

  摘要：

  公开号：

  EP2039687B1

文献信息

• Glycine Derivative and Use Thereof
  申请人：Hirano Noriyuki

  公开号：US20080085910A1

  公开（公告）日：2008-04-10

  A glycine derivative which is, e.g., the following compound (Chemical formula (1)). It is highly effective in the treatment and prevention of inflammatory bowel diseases. Compared to conventional compounds, the compound is excellent in absorbability in oral administration and in vivo stability. The compound can be orally administered and can retain an excellent therapeutic or preventive effect over a longer period.

  一种甘氨酸衍生物，例如以下化合物（化学式（1））。它在治疗和预防炎症性肠病方面非常有效。与传统化合物相比，该化合物在口服吸收和体内稳定性方面表现出色。该化合物可以口服给药，并能在较长时间内保持出色的治疗或预防效果。
• THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA
  申请人：Kaino Mie

  公开号：US20090253724A1

  公开（公告）日：2009-10-08

  A therapeutic or prophylactic agent for leukemia is disclosed. The therapeutic or prophylactic agent comprises as an effective ingredient a glycine derivative having a specific structure or a pharmaceutically acceptable salt thereof, for example, the below-described compound [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid]. The therapeutic or prophylactic agent for leukemia according to the present invention shows the excellent absorbability and in vivo stability when orally administered, and exhibits prominent therapeutic or prophylactic effects.

  本发明揭示了一种治疗或预防白血病的药剂。该治疗或预防药剂包含一种具有特定结构的甘氨酸衍生物或其药学上可接受的盐作为有效成分，例如下述化合物[(E)-2-(2,6-二氯苯甲酰胺基)-5-[4-(异丙基嘧啶-2-基)苯基]戊-4-烯酸]。本发明的白血病治疗或预防药剂在口服时表现出优异的吸收性和体内稳定性，并展现出显著的治疗或预防效果。
• THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS
  申请人：Kaino Mie

  公开号：US20090093508A1

  公开（公告）日：2009-04-09

  A therapeutic or prophylactic agent for allergic dermatitis is disclosed. The therapeutic or prophylactic agent comprises as an effective ingredient a glycine derivative having a specific structure or a pharmaceutically acceptable salt thereof, for example, the below-described compound [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid]. The therapeutic or prophylactic agent for allergic dermatitis according to the present invention has high therapeutic or prophylactic effect.

  本发明揭示了一种用于过敏性皮炎的治疗或预防剂。该治疗或预防剂包括作为有效成分的一种具有特定结构的甘氨酸衍生物或其药学上可接受的盐，例如下述化合物[(E)-2-(2,6-二氯苯甲酰胺)-5-[4-(异丙基嘧啶-2-基)苯基]戊-4-烯酸]。本发明所述的过敏性皮炎治疗或预防剂具有高度的治疗或预防效果。
• Therapeutic or prophylactic agent for multiple sclerosis
  申请人：Toray Industries, Inc.

  公开号：US07879837B2

  公开（公告）日：2011-02-01

  A therapeutic or prophylactic agent for multiple sclerosis is disclosed. The therapeutic or prophylactic agent comprises as an effective ingredient a glycine derivative having a specific structure or a pharmaceutically acceptable salt thereof, for example, the below-described compound [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid]. The therapeutic or prophylactic agent for multiple sclerosis according to the present invention shows the excellent absorbability and in vivo stability when orally administered, and exhibits high therapeutic or prophylactic effects.

  本发明揭示了一种治疗或预防多发性硬化的药剂。该治疗或预防药剂包含一种具有特定结构的甘氨酸衍生物或其药学上可接受的盐作为有效成分，例如下述化合物 [(E)-2-(2,6-二氯苯甲酰氨基)-5-[4-(异丙基嘧啶-2-基氨基)苯基]戊-4-烯酸]。本发明的治疗或预防多发性硬化的药剂口服时表现出优异的吸收性和体内稳定性，并表现出高疗效或预防效果。
• Glycine derivative and use thereof
  申请人：Toray Industries, Inc.

  公开号：US07566724B2

  公开（公告）日：2009-07-28

  The compounds of the disclosure, for example, the compound represented by the formula: has excellent therapeutic and prophylactic effects against inflammatory bowel disease. Further, they are excellent in absorption and in vivo stability when administered orally in comparison with conventional compounds. That is, the compounds can be administered orally, and can have excellent therapeutic or prophylactic effect sustained for a longer period of time.

  本文所披露的化合物，例如通过以下公式表示的化合物：具有出色的治疗和预防炎症性肠病的效果。此外，与传统化合物相比，它们在口服时具有出色的吸收和体内稳定性。也就是说，这些化合物可以口服，并且可以持续较长时间地具有出色的治疗或预防效果。