5-aminomethyluracil hydrochloride | 90585-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-aminomethyluracil hydrochloride
• 英文别名: 5-aminomethyl-1H-pyrimidine-2,4-dione; hydrochloride；5-Aminomethyl-1H-pyrimidin-2,4-dion; Hydrochlorid；5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride；5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
• CAS: 90585-93-6
• 化学式: C₅H₇N₃O₂*ClH
• mdl: MFCD19443297
• 分子量: 177.59
• InChiKey: AXUBMXRUYDFZGQ-UHFFFAOYSA-N

物化性质

• 熔点：
  250-254 °C(Solv: ethanol (64-17-5); water (7732-18-5))

计算性质

• 辛醇/水分配系数(LogP)：
  -0.16
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  84.2
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-aminomethyluracil hydrochloride 、 3',5'-diacetyl-6-O-(p-nitrophenyl-ethyl)-2-fluoroinosine 在 二乙基异丙基胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以35%的产率得到Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-{2-[(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl)-amino]-6-[2-(4-nitro-phenyl)-ethoxy]-purin-9-yl}-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  用于三螺旋介导的腺嘌呤-胸腺嘧啶碱基对识别的新型修饰核苷的设计与合成：与远端腺嘌呤的氢键形成

  摘要：

  我们已经合成了一类新的修饰核苷X，它可以识别腺嘌呤-胸腺嘧啶碱基对。它们被设计成形成AT·X基序的三重螺旋，其中X与主要凹槽中远端腺嘌呤的N7和NH 2形成氢键。化合物1和2是新型的形成三链体的修饰核苷，预期其可通过对硝基苯基作为DNA裂解剂。

  DOI：

  10.1016/s0040-4039(99)00857-6

文献信息

• [EN] TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES<br/>[FR] COMPOSÉS TRIARYLES POUR LE TRAITEMENT DE MALADIES PD-L1
  申请人：CHEMOCENTRYX INC

  公开号：WO2020232256A1

  公开（公告）日：2020-11-19

  Compounds are provided that are useful as immunomodulators. The compounds have the Formula (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein R1a, R1b, R1c, R1d, R2a, R2b, R3, R3a, R4, R6, R7, R8, A, Z, X1 and n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  提供了一些作为免疫调节剂有用的化合物。这些化合物具有公式（I），包括立体异构体和其药用盐，其中R1a、R1b、R1c、R1d、R2a、R2b、R3、R3a、R4、R6、R7、R8、A、Z、X1和n如本文所定义。还披露了与这些化合物的制备和使用相关的方法，以及包含这些化合物的药物组合物。
• Triaryl compounds for treatment of PD-L1 diseases
  申请人：CHEMOCENTRYX, INC.

  公开号：US11266643B2

  公开（公告）日：2022-03-08

  Compounds are provided that are useful as immunomodulators. The compounds have the Formula (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein R1a, R1b, R1c, R1d, R2a, R2b, R3, R3a, R4, R6, R7, R8, A, Z, X1 and n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本研究提供了可用作免疫调节剂的化合物。这些化合物具有式（I） 其中 R1a、R1b、R1c、R1d、R2a、R2b、R3、R3a、R4、R6、R7、R8、A、Z、X1 和 n 如本文所定义。还公开了与制备和使用此类化合物相关的方法，以及包含此类化合物的药物组合物。
• TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES
  申请人：CHEMOCENTRYX, INC.

  公开号：US20200383979A1

  公开（公告）日：2020-12-10

  Compounds are provided that are useful as immunomodulators. The compounds have the Formula (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein R 1a , R 1b , R 1c , R 1d , R 2a , R 2b , R 3 , R 3a , R 4 , R 6 , R 7 , R 8 , A, Z, X 1 and n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.