(S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzyl)(2,2,2-trifluoroethyl)amino)acetic acid | 1488364-57-3

• 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: (S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzyl)(2,2,2-trifluoroethyl)amino)acetic acid
• 英文别名: N-{4-[(2-amino-4-{[(3S)-1-hydroxyhexan-3-yl]amino}-6-methylpyrimidin-5-yl)methyl]-3-methoxybenzyl}-N-(2,2,2-trifluoroethyl)glycine；N-({4-[(2-amino-4-{[(3S)-1-hydroxyhexan-3-yl]amino}-6-methylpyrimidin-5-yl)methyl]-3-methoxyphenyl}methyl)-N-(2,2,2-trifluoroethyl)glycine；Guretolimod；2-[[4-[[2-amino-4-[[(3S)-1-hydroxyhexan-3-yl]amino]-6-methylpyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
• CAS: 1488364-57-3
• 化学式: C₂₄H₃₄F₃N₅O₄
• 分子量: 513.56
• InChiKey: XWGKZKKNJOQUSG-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  36
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (S)-tert-butyl 2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzyl)(2,2,2-trifluoroethyl)amino)acetate 在 盐酸 作用下， 以 水 、 甲苯 为溶剂， 以54 %的产率得到(S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzyl)(2,2,2-trifluoroethyl)amino)acetic acid
  参考文献：
  名称：

  [EN] METHOD FOR PRODUCING PYRIMIDINE COMPOUND
  [FR] PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ DE PYRIMIDINE
  [JA] ピリミジン化合物の製造方法

  摘要：

  这项发明涉及一种制备作为药物有用的嘧啶化合物的方法（式子中，R1代表C1-4烷基等，R2代表氢等，m和n都是等于1的数字）。

  公开号：

  WO2022202814A1

文献信息

• [EN] CARBOXYLIC ACID COMPOUNDS<br/>[FR] COMPOSÉS D'ACIDE CARBOXYLIQUE
  申请人：DAINIPPON SUMITOMO PHARMA CO

  公开号：WO2013172479A1

  公开（公告）日：2013-11-21

  The present disclosure concerns at least one entity chosen from compounds of Formula (I) and pharmaceutically acceptable salts thereof: (I) wherein the variable groups X, R1, R2, R3 m, n and p are as defined herein. The present disclosure also relates to methods for the preparation of at least one such entity, and intermediates useful in the preparation thereof, to pharmaceutical compositions containing at least one such entity, to the use of at least one such entity in the preparation of medicaments, and to the use of at least one such entity in the treatment of conditions such as, for example, allergic diseases, autoimmune diseases, viral diseases, and cancer.

  本公开涉及至少选择自化合物的实体，其化学式为(I)和其药用盐：（I）其中变量组X，R1，R2，R3，m，n和p如本文所定义。本公开还涉及至少一种这样的实体的制备方法，以及在其制备中有用的中间体，含有至少一种这样的实体的药物组合物，至少一种这样的实体在药物制备中的使用，以及至少一种这样的实体在治疗过敏性疾病、自身免疫疾病、病毒性疾病和癌症等疾病中的使用。
• CARBOXYLIC ACID COMPOUNDS
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20150099770A1

  公开（公告）日：2015-04-09

  The present disclosure concerns at least one entity chosen from compounds of Formula (I) and pharmaceutically acceptable salts thereof: (I) wherein the variable groups X, R1, R2, R3 m, n and p are as defined herein. The present disclosure also relates to methods for the preparation of at least one such entity, and intermediates useful in the preparation thereof, to pharmaceutical compositions containing at least one such entity, to the use of at least one such entity in the preparation of medicaments, and to the use of at least one such entity in the treatment of conditions such as, for example, allergic diseases, autoimmune diseases, viral diseases, and cancer.

  本公开涉及至少从式（I）的化合物和其药学上可接受的盐中选择的至少一个实体： （I）其中变量基团X、R1、R2、R3、m、n和p的定义如本文所述。本公开还涉及至少一种这样的实体的制备方法，以及在其制备中有用的中间体，含有至少一种这样的实体的制药组合物，使用至少一种这样的实体制备药物，以及使用至少一种这样的实体治疗过敏症、自身免疫疾病、病毒性疾病和癌症等疾病的用途。
• COMBINATION DRUG INCLUDING TLR7 AGONIST
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：EP3730152A1

  公开（公告）日：2020-10-28

  The present invention provides an agent for inducing effector memory T cell or an agent for inducing MHC class I for treating or preventing a cancer, comprising a TLR7 agonist which is used with an immune checkpoint inhibitor. And, the present invention also provides a medicament for treating or preventing a cancer, comprising a TLR7 agonist which is used with an immune checkpoint inhibitor.

  本发明提供了一种用于治疗或预防癌症的诱导效应记忆T细胞的制剂或诱导MHC I类的制剂，其中包括一种与免疫检查点抑制剂一起使用的TLR7激动剂。此外，本发明还提供了一种用于治疗或预防癌症的药物，其中包括一种与免疫检查点抑制剂一起使用的TLR7激动剂。
• Carboxylic acid compounds
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US10150743B2

  公开（公告）日：2018-12-11

  The present disclosure concerns at least one entity chosen from compounds of Formula (I) and pharmaceutically acceptable salts thereof: wherein the variable groups X, R1, R2, R3 m, n and p are as defined herein. The present disclosure also relates to methods for the preparation of at least one such entity, and intermediates useful in the preparation thereof, to pharmaceutical compositions containing at least one such entity, to the use of at least one such entity in the preparation of medicaments, and to the use of at least one such entity in the treatment of conditions such as, for example, allergic diseases, autoimmune diseases, viral diseases, and cancer.

  本公开涉及至少一种选自式（I）化合物及其药学上可接受的盐类的实体： 其中可变基团 X、R1、R2、R3 m、n 和 p 如本文所定义。本公开还涉及至少一种此类实体的制备方法，以及用于制备此类实体的中间体，涉及含有至少一种此类实体的药物组合物，涉及至少一种此类实体在制备药物中的用途，以及涉及至少一种此类实体在治疗过敏性疾病、自身免疫性疾病、病毒性疾病和癌症等疾病中的用途。
• EP2850067B1
  申请人：——

  公开号：EP2850067B1

  公开（公告）日：2017-08-16