1,6-dimethylpyrimidine-2,4(1H,3H)-dione | 1627-27-6

• 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: 1,6-dimethylpyrimidine-2,4(1H,3H)-dione
• 英文别名: 1,6-dimethyluracil；1,6-dimethylpyrimidine-2,4-dione
• CAS: 1627-27-6
• 化学式: C₆H₈N₂O₂
• 分子量: 140.142
• InChiKey: OCUWGDBSGJMUNG-UHFFFAOYSA-N

物化性质

• 熔点：
  258-262 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  1,6-dimethylpyrimidine-2,4(1H,3H)-dione 在 硫酸 、 potassium nitrate 作用下， 反应 20.0h， 以68.1%的产率得到1,6-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  [EN] PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE DERIVATIVES
  [FR] DÉRIVÉS DE PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE

  摘要：

  本发明涉及一种新型的Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-二酮衍生物，其化学式为（I），以及它们作为TRPC5调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗TRPC5受体介导的疾病或症状的药物的方法。R1、R2、R3、R4和R5的含义见描述。

  公开号：

  WO2016023831A1
• 作为产物：
  描述：

  甲基硫脲嘧啶 在 盐酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 生成 1,6-dimethylpyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  异胞嘧啶的多功能衍生物。水合对2-（2-羟乙基）氨基-6-甲基嘧啶-4（3 H ）-one质子互变异构的影响

  摘要：

  2-（2-羟乙基）氨基-6-甲基嘧啶-4（ 3H ）-的水合 形成4-氧代-3,4-二氢和4-羟基互变异构体的平衡混合物。这些互变异构体相互过渡的中间体具有两性离子结构。随着介质极性的降低，平衡转变为4-氧代-3,4-二氢形式。

  DOI：

  10.1007/s11176-005-0287-x

文献信息

• SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF
  申请人：AJINOMOTO CO., LTD.

  公开号：US20150051395A1

  公开（公告）日：2015-02-19

  Provided are sulfonamide derivatives of a specific chemical structure in which a sulfonamide group having, as a substituent, a phenyl group or a heterocyclic group having a hetero atom(s) as a constituent element(s) is present at its terminal, and pharmaceutically acceptable salts thereof. These compounds are novel compounds having excellent α4 integrin-inhibitory action.

  提供的是具有特定化学结构的磺酰胺衍生物，在其末端有一个带有苯基或含杂原子的杂环基团作为取代基的磺酰胺基团，以及药用可接受的盐。这些化合物是具有卓越的α4整合素抑制作用的全新化合物。
• The Effects of Membership in Church-Related Associations and Labor Unions on Age Differences in Voluntary Association Affiliations
  作者：Jon Hendricks、Stephen J. Cutler

  DOI：10.1093/geront/41.2.250

  日期：2001.4.1

  Purpose:When compositional differences between age groups are controlled, the bivariate, curvilinear pattern of age differences in voluntary association memberships is replaced by one in which peak membership levels occur in late middle age and remain relatively stable thereafter. We sought to determine if this adjusted pattern persists when widespread memberships in two types of associations are removed: (1) church-related organizations, in which membership increases with age but may be confounded with church membership per se; and (2) labor unions, in which membership is also widespread but may not be "voluntary."Design and Methods:Total memberships in 14 types of associations were examined using aggregated data from 12 national surveys conducted between 1974 and 1994.Results:The familiar curvilinear relationship at the bivariate level appears, but in the multivariate analysis, membership levels rise from ages 18–24 through 55–59 and persist close to that level through ages 85 and older.Implications:The results reaffirm that age differences in voluntary association affiliations are due to age-based compositional differences; they also show, however, that the pattern observed with controls is neither driven by membership in church-related "associations" nor altered when membership in labor unions is excluded.

  目的：当年龄组之间的构成差异受到控制时，自愿协会会员资格中年龄差异的二元曲线模式将被一种会员水平峰值出现在中年后期并在此后保持相对稳定的模式所取代。我们试图确定当两类协会的广泛会员资格被取消时，这种调整后的模式是否仍然存在：（1）与教会相关的组织，其中会员资格随着年龄的增长而增加，但可能与教会会员资格本身相混淆； (2) 工会，其成员资格也很广泛，但可能不是“自愿的”。 设计和方法：使用 1974 年至 1994 年间进行的 12 次全国性调查的汇总数据对 14 类协会的总成员资格进行了审查。双变量水平上出现了熟悉的曲线关系，但在多变量分析中，会员水平从 18-24 岁上升到 55-59 岁，并在 85 岁及以上一直保持接近该水平。 意义：结果再次证实，自愿协会中的年龄差异隶属关系是由于年龄构成差异造成的；然而，它们也表明，通过控制观察到的模式既不是由与教会有关的"协会"的成员资格所驱动的，也不是因为工会成员资格被排除在外而改变的。
• X-ray charge density study of the 6-methyluracil derivative in the crystal: Revealing, consequences, and multipole refinement of minor static disorder
  作者：Sergey A. Shteingolts、Alina F. Saifina、Liliya F. Saifina、Vyacheslav E. Semenov、Georgy K. Fukin、Robert R. Fayzullin

  DOI：10.1016/j.molstruc.2020.129724

  日期：2021.3

  which quality was gauged by the quantum-topological analysis as well as by its conformity to the data obtained from ab initio periodic calculations. Attempts to speculate on reasons for the limited disordering observed were made: theoretical calculations suggest that moderate hydrogen bonds support the disordering in the structure, while multiple weak noncovalent contacts may provide the restrictions

  摘要 在100 K 条件下对1,6-二甲基-3-炔丙基-2,4-嘧啶二酮晶体进行了精确的X 射线衍射实验。根据这些数据通过多极细化得到静态电子密度(ED)。低强度但非随机的正残余密度峰的存在表明结构因轻微的构象静态紊乱而变得复杂。进一步分析ED ∇ 2 ρ ( r ) 的Laplacian 的临界点(CPs) (3, +3) 的数量和位置及其Hessian 矩阵的特征值比，明确证明了主无序的多极建模ED组件被第二个组件污染了。一种将拉普拉斯最小值可视化为半轴与 ∇ 2 ρ ( r ) 的 Hessian 矩阵的特征值成反比的 CP 椭球的方法被应用于评估建模 ED 的正确性。额外的拉普拉斯 CP (3, +3) 归因于不正确的多极种群，而相应的盘状 CP 椭球的细长形状主要被认为是麻烦的 kappa 参数的影响。构建了许多不同的多极模型，以尽量减少无序对多极 ED 的不良影响。双组分多极模型表明，占位率为
• NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE
  申请人：Guindon Yvan

  公开号：US20110092451A1

  公开（公告）日：2011-04-21

  The present invention comprises compounds useful as antiviral or antitumor agents. The compounds comprise nucleotide analogues that comprise tetrahydrofuranyl or tetrahydrothienyl moeities with quaternary centers at the 3′ position. The nucleotide analogues can be used to inhibit cancer or viruses. Accordingly, the compounds of the present invention are useful for treating, preventing, and/or inhibiting diseases or conditions associated with cancers and viruses. Thus, the present invention also comprising pharmaceutical formulations comprising the compounds and methods of using the compounds and formulations to inhibit viruses or tumors and treat, prevent, or inhibit the foregoing diseases.

  本发明涉及一种可用作抗病毒或抗肿瘤药物的化合物。该化合物包括核苷酸类似物，其包含在3'位置具有四氢呋喃基或四氢噻吩基的季铵中心。该核苷酸类似物可用于抑制癌症或病毒。因此，本发明的化合物可用于治疗、预防和/或抑制与癌症和病毒相关的疾病或症状。因此，本发明还包括包含该化合物的药物制剂和使用该化合物和制剂抑制病毒或肿瘤以及治疗、预防或抑制上述疾病的方法。
• Toning agents for use in thermographic recording materials
  申请人：AGFA-GEVAERT

  公开号：US20040152027A1

  公开（公告）日：2004-08-05

  A black and white monosheet thermographic recording material comprising a support and a thermosensitive element, the thermosensitive element containing a substantially light-insensitive organic silver salt, an organic reducing agent therefor in thermal working relationship therewith, a binder and at least one toning agent, wherein the at least one toning agent is represented by formula (I): 1 wherein R 1 is a hydrogen atom or an alkyl, an alkenyl, an alkynyl, a cycloalkyl, an alkaryl, an aryl, a heterocyclic or a heteroaryl group all of which may be optionally substituted; with the proviso is that R 1 may not be a hydrogen atom if both R 2 and R 3 are both hydrogen atoms; R 2 and R 3 are independently a hydrogen or a halogen atom or an amino, amide, ester, carboxy, carbonate, alkyl, alkenyl, alkynyl, cycloalkyl, alkaryl, aryl, heterocyclic or heteroaryl group all of which may be optionally substituted; R 2 and R 3 may together represent the atoms necessary to complete a heteroaromatic ring with no more than one nitrogen atom, an alicyclic or a heterocyclic group which all may be optionally substituted; and X is a carbonyl group, or is —N—R 4 , where R 4 is an alkyl group.

  一种黑白单片热敏记录材料，包括支撑体和热敏元素，其中热敏元素包含一种基本上不敏感于光的有机银盐，与之处于热工作关系的有机还原剂，粘合剂和至少一种调色剂，其中至少一种调色剂由式(I)表示：其中R1是氢原子或可以选择取代的烷基，烯基，炔基，环烷基，烷基芳基，芳基，杂环或杂芳基中的任何一种基团。但前提是如果R2和R3都是氢原子，则R1不能是氢原子；R2和R3独立地是氢原子或卤素原子，或者是可以选择取代的氨基，酰胺基，酯基，羧基，碳酸酯基，烷基，烯基，炔基，环烷基，烷基芳基，芳基，杂环或杂芳基中的任何一种基团；R2和R3可以一起表示所需的原子，以完成最多带有一个氮原子的杂环芳基，脂环或杂环基团；X是羰基或—N—R4，其中R4是烷基。