6-叔丁基嘧啶-2,4(1H,3H)-二酮 | 18202-66-9

• 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: 6-叔丁基嘧啶-2,4(1H,3H)-二酮
• 英文名称: 6-t-Butyluracil
• 英文别名: 6-tert-butyl-1H-pyrimidine-2,4-dione；6-Tert-butylpyrimidine-2,4-diol；6-tert-butyl-1H-pyrimidine-2,4-dione
• CAS: 18202-66-9
• 化学式: C₈H₁₂N₂O₂
• mdl: MFCD00234456
• 分子量: 168.195
• InChiKey: BFWDTJWBVUGSOT-UHFFFAOYSA-N

物化性质

• 熔点：
  225-228 °C
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

文献信息

• OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Bergeron Philippe

  公开号：US20100331305A1

  公开（公告）日：2010-12-30

  Disclosed are compounds of Formula I, including steroisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, that are useful in modulating PIKK related kinase signaling, e.g., mTOR, and for the treatment of diseases (e.g., cancer) that are mediated at least in part by the dysregulation of the PIKK signaling pathway (e.g., mTOR).

  公开的是Formula I的化合物，包括立体异构体、几何异构体、互变异构体、溶剂合物、代谢物及其药学上可接受的盐，这些化合物在调节PIKK相关激酶信号传导方面很有用，例如mTOR，并用于治疗至少部分由PIKK信号传导途径失调引起的疾病（例如癌症）。
• Shape memory polymers
  申请人：Anthamatten Mitchell L.

  公开号：US20080177303A1

  公开（公告）日：2008-07-24

  The present disclosure relates to Shape Memory Polymers (SMP's) comprising function groups that allow the polymers to be elastically deformed, utilized in the elastically deformed state, and subsequently returned to the original polymorphic shape.

  本公开涉及形状记忆聚合物（SMP），其中包含允许聚合物弹性变形的功能基团，可在弹性变形状态下使用，并随后返回到原始的多态形状。
• GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：Beaton Graham

  公开号：US20130040975A1

  公开（公告）日：2013-02-14

  GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 1d , R 2 , R 2a , and A are as defined herein, including stereoisomers, esters, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了GnRH受体拮抗剂，其在治疗男性和女性的各种性激素相关疾病中具有实用性。本发明的化合物具有以下结构：其中R1a、R1b、R1c、R1d、R2、R2a和A的定义如本文所述，包括立体异构体、酯类、溶剂合物和其药学上可接受的盐。本发明还揭示了含有本发明化合物与药学上可接受的载体的组合物，以及与其相关的方法，用于拮抗需要此类治疗的受试者的促性腺激素释放激素。
• Heteroaromatic Compounds and their Use as Dopamine D1 Ligands
  申请人：PFIZER INC.

  公开号：US20150344490A1

  公开（公告）日：2015-12-03

  The present invention provides, in part, compounds of Formula I: and pharmaceutically acceptable salts thereof and N-oxides thereof; processes and intermediates for preparation of; and compositions and uses thereof. The present invention further provides D1 agonists with reduced D1R desensitization, D1 agonists with a reduced β-arrestin recruitment activity relative to Dopamine, D1 agonists interacting significantly with the Ser188 but not significantly with the Ser202 of a D1R when binding to the D1R, D1 agonists interacting less strongly with the Asp103 and interacting less strongly with the Ser198 of a D1R when binding to the D1R, and their uses.

  本发明提供了部分式I的化合物及其药学上可接受的盐和N-氧化物；其制备的过程和中间体；以及其组合物和用途。本发明还提供了具有降低D1R失效的D1激动剂，具有相对于多巴胺降低β-阻滞素招募活性的D1激动剂，当结合到D1R时与Ser188显著相互作用但与Ser202显著不相互作用的D1激动剂，当结合到D1R时与Asp103相互作用较弱且与Ser198相互作用较弱的D1激动剂，以及它们的用途。
• Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists
  申请人：GLYCOMIMETICS, INC.

  公开号：US11197877B2

  公开（公告）日：2021-12-14

  Compounds, compositions, and methods for treatment and/or prevention of at least one disease, disorder, and/or condition by inhibiting binding of an E-selectin to an E-selectin ligand are disclosed. For example, E-selectin antagonists are described and pharmaceutical compositions comprising at least one of the same.

  本文公开了通过抑制 E-选择素与 E-选择素配体的结合来治疗和/或预防至少一种疾病、失调和/或病症的化合物、组合物和方法。例如，描述了 E-选择素拮抗剂和包含至少一种 E-选择素拮抗剂的药物组合物。