5-((S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-ylmethyl)-pyrimidine-2,4-diamine | 1208116-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-((S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-ylmethyl)-pyrimidine-2,4-diamine
• 英文别名: (S)-Iclaprim；5-[[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
• CAS: 1208116-66-8
• 化学式: C₁₉H₂₂N₄O₃
• 分子量: 354.409
• InChiKey: HWJPWWYTGBZDEG-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-[5-((S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-ylmethyl)-4-(2,2-dimethyl-propionylamino)-pyrimidin-2-yl]-2,2-dimethyl-propionamide 在 甲醇 、 sodium hydroxide 作用下， 反应 0.5h， 生成 5-((S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-ylmethyl)-pyrimidine-2,4-diamine
  参考文献：
  名称：

  Enantioselective Synthesis of Iclaprim Enantiomers―A Versatile Approach to 2-Substituted Chiral Chromenes

  摘要：

  Both enantiomers of the DHFR inhibitor iclaprim (R)-1 and (5)-1 were synthesized from the cyclopropyl homoallyl alcohols (R)-6 and (S)-6. respectively. As key steps these transformations include a Mitsunobu reaction and the formation of the diaminopyrimidine unit prior to a novel cyclization procedure to obtain the desired chromene heterocycle. The moderate enantioselectivity of the products (R)-1 and OH is related to the Mitsunobu reaction, which unfortunately did not proceed with complete inversion or configuration.

  DOI：

  10.1021/jo100566c

文献信息

• Stable formulation for parenteral administration of Tapentadol
  申请人：Gruenenthal GmbH

  公开号：US10898452B2

  公开（公告）日：2021-01-26

  The invention relates to an an aqueous pharmaceutical composition for parenteral administration comprising Tapentadol or a physiologically acceptable salt thereof; wherein the concentration of Tapentadol is greater than 8.00 mg/mL, based on the weight of Tapentadol free base and based on the total volume of the composition; wherein the composition comprises a buffer system; and wherein the pH value of the composition is within the range of from greater than 3.0 to less than 6.7. The invention also relates to a kit comprising the composition according to the invention in a packaging. The pharmaceutical composition according to the invention is particularly useful for treating pain, especially acute pain, preferably in adult patients.

  本发明涉及一种用于肠外给药的水性药物组合物，该组合物包含他喷他多或其生理上可接受的盐；其中，基于他喷他多游离碱的重量和组合物的总体积，他喷他多的浓度大于 8.00 mg/mL；其中，该组合物包含缓冲体系；以及其中，该组合物的 pH 值在大于 3.0 至小于 6.7 的范围内。本发明还涉及一种试剂盒，其中包括包装中的根据本发明的组合物。根据本发明的药物组合物特别适用于治疗疼痛，尤其是急性疼痛，最好用于成年患者。
• Stable formulation for parenteral administration of tapentadol
  申请人：Gruenenthal GmbH

  公开号：US11013701B2

  公开（公告）日：2021-05-25

  The invention relates to an aqueous pharmaceutical composition for parenteral administration comprising Tapentadol or a physiologically acceptable salt thereof, wherein the concentration of Tapentadol is within the range of from 0.10 to 8.00 mg/mL, based on the weight of Tapentadol free base and based on the total volume of the composition; and wherein the pH value of the composition is buffered and within the range of from 4.0 to 6.0. The invention also relates to a container comprising the pharmaceutical composition and a process for the preparation thereof. The invention also relates to a kit comprising the contained according to the invention in a packaging. The pharmaceutical composition according to the invention is particularly useful for treating pain, especially acute pain, preferably in pediatric patients.

  本发明涉及一种用于肠外给药的水性药物组合物，该组合物包含他喷他多或其生理上可接受的盐，其中基于他喷他多游离碱的重量和组合物的总体积，他喷他多的浓度在 0.10 至 8.00 mg/mL 的范围内；组合物的 pH 值为缓冲值，在 4.0 至 6.0 的范围内。本发明还涉及一种包含药物组合物的容器及其制备工艺。本发明还涉及一种包含在包装中的根据本发明的试剂盒。根据本发明的药物组合物特别适用于治疗疼痛，尤其是急性疼痛，最好是儿童患者。
• AQUEOUS PHARMACEUTICAL FORMULATION
  申请人：Acino Pharma AG

  公开号：EP2280688A1

  公开（公告）日：2011-02-09
• STABLE FORMULATION FOR PARENTERAL ADMINISTRATION OF TAPENTADOL
  申请人：Grünenthal GmbH

  公开号：EP3273953B1

  公开（公告）日：2019-01-02
• FORMULATIONS, METHODS, KIT, AND DOSAGE FORMS FOR TREATING BACTERIAL INFECTION
  申请人：Motif Biosciences, Inc.

  公开号：EP3538094A1

  公开（公告）日：2019-09-18