(5-溴嘧啶-2-基)乙酸 | 1134327-93-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: (5-溴嘧啶-2-基)乙酸
• 英文名称: 2-(5-bromopyrimidin-2-yl)acetic acid
• 英文别名: (5-Bromopyrimidin-2-yl)acetic acid
• CAS: 1134327-93-7
• 化学式: C₆H₅BrN₂O₂
• 分子量: 217.022
• InChiKey: VQTSLZVLSPVCJG-UHFFFAOYSA-N

物化性质

• 沸点：
  349.0±22.0 °C(Predicted)
• 密度：
  1.815±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  methyl (S)-4-amino-3-((oxetan-2-ylmethyl)amino)benzoate 、 (5-溴嘧啶-2-基)乙酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95 %的产率得到
  参考文献：
  名称：

  [EN] PHENYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-PHENYL-, PHENYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-HETEROARYL-, OR PHENYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-PIPERIDINYL-METHYL-OXETANYLMETHYL-1H-BENZO [D] IMIDAZOLE-CARBOXYLIC ACID DERIVATIVES AND METHODS OF USING SAME
  [FR] DÉRIVÉS D'ACIDE PHÉNYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-PHÉNYL-, PHÉNYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-HÉTÉROARYL-, OU PHÉNYL- [1, 3] DIOXOLO [4, 5-C] PYRIDINYL-PIPÉRIDINYL-MÉTHYL-OXÉTANYLMÉTHYL-1H-BENZO [D] IMIDAZOLE-CARBOXYLIQUE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  提供的是公式（Y）或公式（A）或其药物可接受的盐、水合物、溶剂合物、前药、立体异构体或互变异构体的化合物，该化合物调节GLP-1受体的活性，还包括一种包含公式（I）化合物的药物组合物，以及一种治疗或预防GLP-1受体在其中发挥作用的疾病的方法。

  公开号：

  WO2022199661A1

文献信息

• PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20170183329A1

  公开（公告）日：2017-06-29

  The present disclosure provides novel compounds or salts thereof, or crystals of the compounds or the salts, which inhibit Axl and are useful in the treatment of a disease caused by hyperfunction of Axl, the treatment of a disease associated with hyperfunction of Axl, and/or the treatment of a disease involving hyperfunction of Axl. The present disclosure provides pyridone derivatives having a tetrahydropyranylmethyl group represented by the following formula (I) having various substituents, or salts thereof, or crystals of the compounds or the salts, wherein R 1 , R 2 , R 3 , R 4 , R 5 , W, X, Y, and Z are each as defined in the specification:

  本公开提供了新颖的化合物或其盐，或者该化合物或盐的晶体，其抑制Axl并在治疗由Axl高功能引起的疾病、与Axl高功能相关的疾病的治疗和/或涉及Axl高功能的疾病的治疗中有用。本公开提供了具有以下式（I）所代表的四氢吡喃基甲基基团的吡啶酮衍生物，具有各种取代基，或其盐，或化合物或盐的晶体，其中R1、R2、R3、R4、R5、W、X、Y和Z均如规范中定义的。
• Synthesis and evaluation of tirbanibulin derivatives: a detailed exploration of the structure–activity relationship for anticancer activity
  作者：Jaebeom Park、Minji Kang、Ahyoung Lim、Kyung-Jin Cho、Chong Hak Chae、Byumseok Koh、Hongjun Jeon

  DOI：10.1039/d3ra06790d

  日期：——

  tirbanibulin derivatives and exploring their SAR through modifications in the core amide motif and the eastern benzylamine part. Our results underscore the critical role of the pyridinyl acetamide core structure for optimal cellular potency, with favorable tolerance observed for modifications at the para position of the benzylamine moiety. Particularly noteworthy is the analogue modified with p-fluorine benzylamine

  替巴尼布林 (Tirbanibulin) 是一种 FDA 批准的微管靶向剂 (MTA)，于 2020 年推出，代表了癌前光化性角化病的开创性治疗方法。尽管由于疗效不足而未能获得批准作为抗癌药物，但通过基于替巴尼布林的衍生物将其应用扩展到恶性肿瘤治疗中仍然具有潜在价值。替巴尼布林具有独特的双重作用机制，涉及微管和 Src 抑制，使其有别于其他 MTA。尽管其独特的特征，目前文献中对替巴尼布林构效关系（SAR）及其衍生物的开发的探索仍然受到很大限制。本研究通过合成各种替巴尼布林衍生物并通过核心酰胺基序和东部苄胺部分的修饰来探索其 SAR，从而解决了这一空白。我们的结果强调了吡啶基乙酰胺核心结构对于最佳细胞效力的关键作用，并且观察到对苄胺部分对位的修饰具有良好的耐受性。特别值得注意的是用对氟苄胺修饰的类似物，其表现出良好的体内PK 曲线。这些发现为基于替巴尼布林的化合物作为有前途的抗癌药物的潜在发展提供了重要的见解。
• PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3168219A1

  公开（公告）日：2017-05-17

  It is intended to provide a novel compound or a salt thereof, or crystals of the compound or the salt, which inhibit Axl and are useful in the treatment of a disease caused by hyperfunction of Axl, the treatment of a disease associated with hyperfunction of Axl, and/or the treatment of a disease involving hyperfunction of Axl. [Solution] The present invention provides a pyridone derivative having a tetrahydropyranylmethyl group represented by the following formula (I) having various substituents, or a salt thereof, or crystals of the compound or the salt (wherein R1, R2, R3, R4, R5, W, X, Y, and Z are each as defined in the specification).

  本发明旨在提供一种新型化合物或其盐，或该化合物或其盐的结晶，该化合物或其盐可抑制 Axl，并可用于治疗由 Axl 功能亢进引起的疾病、治疗与 Axl 功能亢进相关的疾病和/或治疗涉及 Axl 功能亢进的疾病。 [解决方案］ 本发明提供一种吡啶酮衍生物，该衍生物具有下式（I）所代表的具有各种取代基的四氢吡喃甲基，或其盐，或该化合物或该盐的结晶（其中R1、R2、R3、R4、R5、W、X、Y和Z各自如说明书中所定义）。
• Pyridone derivatives having tetrahydropyranylmethyl groups
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US10442797B2

  公开（公告）日：2019-10-15

  The present disclosure provides novel compounds or salts thereof, or crystals of the compounds or the salts, which inhibit Axl and are useful in the treatment of a disease caused by hyperfunction of Axl, the treatment of a disease associated with hyperfunction of Axl, and/or the treatment of a disease involving hyperfunction of Axl. The present disclosure provides pyridone derivatives having a tetrahydropyranylmethyl group represented by the following formula (I) having various substituents, or salts thereof, or crystals of the compounds or the salts, wherein R1, R2, R3, R4, R5, W, X, Y, and Z are each as defined in the specification:

  本公开提供了新型化合物或其盐，或化合物或其盐的结晶，它们抑制Axl，可用于治疗由Axl功能亢进引起的疾病、治疗与Axl功能亢进相关的疾病和/或治疗涉及Axl功能亢进的疾病。 本公开提供了具有下式(I)所代表的具有各种取代基的四氢吡喃甲基的吡啶酮衍生物，或其盐，或化合物或其盐的结晶，其中R1、R2、R3、R4、R5、W、X、Y和Z各自如说明书中所定义：
• PYRIDONE DERIVATIVES HAVING TETRAHYDROPYRANYLMETHYL GROUPS
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20180148436A2

  公开（公告）日：2018-05-31

  The present disclosure provides novel compounds or salts thereof, or crystals of the compounds or the salts, which inhibit Axl and are useful in the treatment of a disease caused by hyperfunction of Axl, the treatment of a disease associated with hyperfunction of Axl, and/or the treatment of a disease involving hyperfunction of Axl. The present disclosure provides pyridone derivatives having a tetrahydropyranylmethyl group represented by the following formula (I) having various substituents, or salts thereof, or crystals of the compounds or the salts, wherein R 1 , R 2 , R 3 , R 4 , R 5 , W, X, Y, and Z are each as defined in the specification: