硫仲丁比妥钠盐 | 2095-57-0

• 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: 硫仲丁比妥钠盐
• 英文名称: thiobutabarbital
• 英文别名: 5-ethyl-5-(1-methylpropyl)-2-thiobarbituric acid；thiobutobarbitone; Inactin；INACTIN；5-Ethyl-5-sec-butyl-2-thiobarbitursaeure；5-(sec-butyl)-5-ethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione；5-sec-butyl-5-ethyl-2-thioxo-dihydro-pyrimidine-4,6-dione；5-Aethyl-5-(1-methyl-propyl)-2-thio-barbitursaeure；5-Aethyl-5-sec-butyl-2-thio-barbitursaeure；5-ethyl-5-sec-butyl-2-thio-barbituric acid；5-ethyldihydro-5-(1-methylpropyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione；5-butan-2-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 2095-57-0
• 化学式: C₁₀H₁₆N₂O₂S
• 分子量: 228.315
• InChiKey: IDELNEDBPWKHGK-UHFFFAOYSA-N

物化性质

• 物理描述：
  Crystals. (NTP, 1992)
• 溶解度：
  Readily soluble (NTP, 1992)
• 保留指数：
  1790

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  59.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• RTECS号：
  CQ2278000
• 海关编码：
  2933599090

反应信息

• 作为产物：
  描述：

  硫脲 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium ethanolate 作用下， 生成 硫仲丁比妥钠盐
  参考文献：
  名称：

  Sulfur-Containing Barbiturate Hypnotics

  摘要：

  DOI：

  10.1021/ja01313a062

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。
• Npy antagonists, preparation and uses
  申请人：Botez Iuliana

  公开号：US20090233910A1

  公开（公告）日：2009-09-17

  The present invention concerns novel compounds, their preparation and their uses, therapeutic uses in particular. More specifically it concerns derivative compounds having at least two aromatic cycles, their preparation and their uses, in particular in the area of human or animal health. These compounds have an affinity for the biological receptors of neuropeptide Y, NPY, present in the central and peripheral nervous systems. The compounds of the invention are preferably NPY antagonists, and more particularly antagonists of sub-type NPY Y1, and can therefore be used for the therapeutic or prophylactic treatment of any disorder involving NPY. The present invention also concerns pharmaceutical compositions containing said compounds, their preparation and their uses, as well as treatment methods using said compounds.

  本发明涉及新颖化合物，它们的制备和用途，特别是在治疗方面的用途。更具体地说，它涉及至少具有两个芳香环的衍生化合物，它们的制备和用途，特别是在人类或动物健康领域。这些化合物对存在于中枢和外周神经系统中的神经肽Y（NPY）的生物受体具有亲和力。本发明的化合物优选为NPY拮抗剂，更具体地说是NPY Y1亚型的拮抗剂，因此可用于治疗或预防涉及NPY的任何疾病。本发明还涉及含有所述化合物的药物组合物，其制备和用途，以及使用所述化合物的治疗方法。
• [EN] DUAL-ACTING ANTIHYPERTENSIVE AGENTS<br/>[FR] AGENTS ANTIHYPERTENSIFS À DOUBLE ACTION
  申请人：THERAVANCE INC

  公开号：WO2009035543A1

  公开（公告）日：2009-03-19

  The invention relates to compounds having the formula: (I) wherein: Ar, r, R3, Z, X, and R5-7 are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have AT1 receptor antagonist activity and neprilysin inhibition activity. The invention also relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

  本发明涉及具有以下公式的化合物：(I) 其中：Ar、r、R3、Z、X和R5-7按说明书定义，或其药用可接受盐。这些化合物具有AT1受体拮抗活性和中性内肽酶抑制活性。本发明还涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。
• SUBSTITUTED BENZOXAZOLES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160108027A1

  公开（公告）日：2016-04-21

  The invention relates to substituted benzoxazoles and to processes for their preparation and to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular of cardiovascular disorders, preferably of thrombotic or thromboembolic disorders.

  本发明涉及取代苯并恶唑及其制备方法，以及它们用于制备治疗和/或预防疾病，特别是心血管疾病，尤其是血栓性或血栓性栓塞疾病的药物的应用。
• NEPRILYSIN INHIBITORS
  申请人：SMITH Cameron

  公开号：US20120157386A1

  公开（公告）日：2012-06-21

  In one aspect, the invention relates to compounds having the formula: where R 1 -R 6 , a, b, and X are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and processes and intermediates for preparing such compounds.

  在一方面，本发明涉及具有以下公式的化合物： 其中R1-R6、a、b和X如说明书所述，或其药用可接受的盐。这些化合物具有中性粒细胞弹性蛋白酶抑制活性。在另一方面，本发明涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。