5,5-二乙基-2-硫代巴比妥酸 | 77-32-7

• 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: 5,5-二乙基-2-硫代巴比妥酸
• 英文名称: 2-Mercapto-5,5-diethyl-1H,5H-pyrimidine-4,6-dione
• 英文别名: 5,5-Diaethyl-2-thiobarbitursaeure；5,5-diethyl-2-thioxo-2,3-dihydro-1H-pyrimidine-4,6-dione；5,5-diethyl-2-thiobarbituric acid；Thiobarbital；5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 77-32-7
• 化学式: C₈H₁₂N₂O₂S
• 分子量: 200.261
• InChiKey: QGVNJRROSLYGKF-UHFFFAOYSA-N

物化性质

• 熔点：
  180°
• 密度：
  1.2581 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  90.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,5-二乙基-2-硫代巴比妥酸 在 copper chloride 、 水 作用下， 生成 5,5-二乙基丙二酰脲
  参考文献：
  名称：

  DE170907

  摘要：

  公开号：
• 作为产物：
  描述：

  二乙基丙二酸二乙酯 生成 5,5-二乙基-2-硫代巴比妥酸
  参考文献：
  名称：

  Fischer,E.; Dilthey, Justus Liebigs Annalen der Chemie, 1904, vol. 335, p. 364

  摘要：

  DOI：

文献信息

• [EN] S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES<br/>[FR] COMPOSÉS DE S-NITROSOMERCAPTO ET DÉRIVÉS APPARENTÉS
  申请人：GALLEON PHARMACEUTICALS INC

  公开号：WO2009151744A1

  公开（公告）日：2009-12-17

  The present invention is directed to mercapto-based and S- nitrosomercapto-based SNO compounds and their derivatives, and their use in treating a lack of normal breathing control, including the treatment of apnea and hypoventilation associated with sleep, obesity, certain medicines and other medical conditions.

  本发明涉及基于巯基和S-亚硝基巯基的SNO化合物及其衍生物，以及它们在治疗正常呼吸控制缺失方面的用途，包括治疗与睡眠、肥胖、某些药物和其他医疗状况相关的呼吸暂停和低通气。
• [EN] OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS<br/>[FR] DERIVES D'OXAZOLIDINONE, LEUR PROCEDE DE PREPARATION ET LEUR UTILISATION COMME AGENTS ANTIMYCOBACTERIENTS
  申请人：LUPIN LTD

  公开号：WO2004026848A1

  公开（公告）日：2004-04-01

  Novel compounds belonging to the class of oxazolidinones possessing potent antimycobacterial properties especially useful in the treatment of acid fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium-intracellular complex, M. fortuitum and M. kansai. The compound and its pharmaceutically acceptable salts thereof act as antibacterial agents. Also disclosed is a method for inhibiting growth of mycobacterial cells a well as a method of treating mycobacterial conditions such as Mycobacterium tuberculoses, drug resistant Mycobacterium tuberculosis, Mycobacterium avium-intracellular complex, M. fortuitum and M. kansai, comprising administering an antimycobacterially effective amount of the said compound and/or pharmaceutically acceptable salts thereof. There is also disclosed a process for the manufacture of the said compound or its pharmaceutically acceptable salts.

  新型化合物属于噁唑烷酮类，具有强效抗分枝杆菌特性，特别适用于治疗酸快速生长的微生物，如结核分枝杆菌、分枝杆菌内复合体、堪萨斯分枝杆菌和康萨分枝杆菌。该化合物及其药学上可接受的盐作为抗菌剂。还公开了一种抑制分枝杆菌细胞生长的方法，以及治疗结核分枝杆菌病、耐药性结核分枝杆菌、分枝杆菌内复合体、堪萨斯分枝杆菌和康萨分枝杆菌等分枝杆菌疾病的方法，包括给予所述化合物和/或其药学上可接受的盐的抗分枝杆菌有效量。还公开了一种制造所述化合物或其药学上可接受的盐的方法。
• Analgesic Compounds, Compositions, and Uses Thereof
  申请人：Mannion James C.

  公开号：US20110224269A1

  公开（公告）日：2011-09-15

  The invention relates to compounds, compositions, and methods for diminishing pain in a subject in need thereof comprising administering the compounds and compositions herein described.

  这项发明涉及化合物、组合物和方法，用于减轻需要的受试者的疼痛，包括给予所述的化合物和组合物。
• [EN] GLYCOLIPIDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THERAPY<br/>[FR] GLYCOLIPIDES ET LEURS COMPOSITIONS PHARMACEUTIQUES DESTINÉES À ÊTRE UTILISÉES EN THÉRAPIE
  申请人：UNIV NOTTINGHAM

  公开号：WO2015150839A1

  公开（公告）日：2015-10-08

  A compound of Formula I: R1 -L1 -C(A)(A') - CH2, - L2-R2 or a pharmaceutically acceptable salt thereof, for use in medicine, for example in the treatment of a disease or condition selected from the group comprising cancer, autistic spectrum disorders. Alzheimer' s disease, Parkinson's disease, Huntingdon' s disease, muscie wasting and viral infection, wherein: R1 is selected from a carbohydrate group or derivative thereof, hydrogen, a C1-C24 alkyl or a C1-C24 derivative of an alkyl group, a C2-C24 alkenyl or a C2-C24 derivative of an aikenyl group, and a C2-C24 alkynyl group or a C2-C24 derivative of an alkynyl group; L1 is a linking group; L2 is a linking group; R2 is selected from hydrogen, a C1-C24 alkyl or a C1-C24 derivative of an alkyl group, a C2-C24 alkenyl or a C2-C24 derivative of an alkenyl group, and a C2-C24 alkynyl group or a C2-C24 derivative of an alkynyl group; A is selected from hydrogen and a C1 -C6 alkyl group: A' is selected from hydrogen, a C3 -C6 alkyl group, and L3-R3; wherein L3 is a linking group; and R3 is selected from hydrogen, a C1-C24 alkyl or a C1-C24 derivative of an alkyl group, a C2-C24 alkenyl or a C2-C24 derivative of an alkenyl group, and a C2-C24 alkynyl group or a C2-C24 derivative of an alkynyl group; and wherein if A' is not L3-R3, then R2 is a C10-C24 alkyl or a C10-C24 derivative of an alkyl group, a C10-C24 alkenyl or a C10-C24 derivative of an alkenyl group, or a C10-C24 alkynyl group or a C10-C24 derivative of an alkynyl group; and wherein if A' is L3-R3, then one or both of R2 and R3 are a C10-C24 alkyl or a C10-C24 derivative of an alkyl group, a C10-C24 alkenyl or a C10-C24 derivative of an alkenyl group, or a C10-C24 alkynyl group or a C10-C24 derivative of an alkynyl group.

  一种化合物，其化学式为：R1 -L1 -C(A)(A') - CH2, - L2-R2或其药学上可接受的盐，用于医药领域，例如用于治疗来自包括癌症、自闭症谱系障碍、阿尔茨海默病、帕金森病、亨廷顿病、肌肉萎缩和病毒感染在内的疾病或症状，其中：R1选自碳水化合物基团或其衍生物、氢、C1-C24烷基或C1-C24烷基衍生物、C2-C24烯基或C2-C24烯基衍生物、C2-C24炔基或C2-C24炔基衍生物；L1为连接基团；L2为连接基团；R2选自氢、C1-C24烷基或C1-C24烷基衍生物、C2-C24烯基或C2-C24烯基衍生物、C2-C24炔基或C2-C24炔基衍生物；A选自氢和C1-C6烷基；A'选自氢、C3-C6烷基和L3-R3；其中L3为连接基团；R3选自氢、C1-C24烷基或C1-C24烷基衍生物、C2-C24烯基或C2-C24烯基衍生物、C2-C24炔基或C2-C24炔基衍生物；如果A'不是L3-R3，则R2为C10-C24烷基或C10-C24烷基衍生物、C10-C24烯基或C10-C24烯基衍生物、或C10-C24炔基或C10-C24炔基衍生物；如果A'是L3-R3，则R2和/或R3为C10-C24烷基或C10-C24烷基衍生物、C10-C24烯基或C10-C24烯基衍生物、或C10-C24炔基或C10-C24炔基衍生物。
• [EN] 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I<br/>[FR] DÉRIVÉS 3-OXO-TÉTRAHYDRO-FURO [3,2-B] PYRROL -4 (5H)-YL)
  申请人：GRUENENTHAL GMBH

  公开号：WO2015161928A1

  公开（公告）日：2015-10-29

  The invention relates to amidic oxotetrahydro-2H-furo[3.2-b]pyrrol-4(5H)-yl) derivatives as dual CatS/K inhibitors, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及作为双重CatS/K抑制剂的酰胺氧代四氢-2H-呋喃[3.2-b]吡咯-4(5H)-基)衍生物，以及含有这些化合物的药物组合物，还涉及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。