Disodium;5-ethyl-6-oxo-5-pentan-2-yl-2-sulfidopyrimidin-4-olate

• 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: Disodium;5-ethyl-6-oxo-5-pentan-2-yl-2-sulfidopyrimidin-4-olate
• 化学式: C11H16N2Na2O2S
• 分子量: 286.3
• InChiKey: KUMIBWQWMZVQQF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.97
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  65.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Pentapeptide-N-alkylamides and their acid addition salts, methods for preparation of these compounds and pharmaceutical formulations containing them
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0000559A1

  公开（公告）日：1979-02-07

  Peptides of their salts or their acid addition salts thereof of formula: wherein X2 is selected from D-alanyl, D-valyl, D-norvalyl, D-leucyl, D-isoleucyl, D-norleucyl, D-methionyl, D-methionyl sulphoxide, D-methionyl sulphone, C-methylalanyl, D-seryl, p-threonyl, D-phenylalanyl, D-O-methylhomoseryl and D-O-rnethyl-threonyl; X4 is selected from L-phenylalanyl,L-4-nitrophenylalanyl, L-4-chlorophenylalanyl and L-4-methylphenylalanyl; X5 is selected from D-leucyl, D-methionyl, D-prolyl, L-leucyl, L-methionyl, L-prolyl, D-methionyl sulphoxide, D-methionyl sulphone, L-methionyl sulphoxide, L-methionyl suiphone and cycloleucyl; and R' is selected from L-seryl, D-seryl, L-threonyl, D-threonyl, glycyl, pyrrolidyl, piperidyl, morpholinyl and NHR; wherein R is alkyl, benzyl, cyclohexyl or 1-hydroxyethyl; provided that when X2 is D-alanyl, D-valyl, D-norvalyl, D-leucyl, D-isoleucyl, D-norleucyl or C-methylalanyl; X4 is L-phenylalanyl, L-4-nitrophenylalanyl, L-4-chlorophenylalanyl or L-4-methylphenylalanyl; X5 is D-leucyl, D-methionyl, D-prolyl, L-leucyl, L-methionyl, L-prolyl, D-methionyl sulphoxide, D-methionyl sulphone,L-methionyl sulphoxide or L-methionyl sulphone; then R' is other than L-seryl, D-seryl, L-threonyl, D-threonyl, pyrrolidyl, piperidyl, morpholinyl or NHR; wherein R is alkyl of one to twenty carbon atoms; furthermore that when X2 is D-seryl, D-phenylalanyl or D-methionyl; X' is L-leucyl or L-methionyl; then R is other than alkyl of one to three carbon atoms; furthermore that when X2 is D-methionyl; X' is L-phenylalanyl; X' is L-prolyl then R is other than ethyl, pharmaceutical formulations containing them and their use in medicine as morphine-like agents and as anaesthetics.

  式中肽的盐或其酸加成盐： 其中 X2 选自 D-丙氨酰、D-缬氨酰、D-正缬氨酰、D-亮氨酰、D-异亮氨酰、D-正亮氨酰、D-蛋氨酰、D-蛋氨酰亚砜、D-蛋氨酰砜、C-甲基丙氨酰、D-丝氨酰、对苏氨酰、D-苯丙氨酰、D-O-甲基高丝氨酰、D-O-壬乙基苏氨酰； X4 选自 L-苯丙氨酰、L-4-硝基苯丙氨酰、L-4-氯苯丙氨酰和 L-4-甲基苯丙氨酰； X5 选自 D-亮氨酰，D-甲酰基，D-脯氨酰，L-亮氨酰，L-甲酰基，L-脯氨酰，D-甲酰基亚砜，D-甲酰基砜，L-甲酰基亚砜，L-甲酰基砜和环氨酰基；和 R' 选自 L-丝氨酰、D-丝氨酰、L-苏氨酰、D-苏氨酰、甘氨酰、吡咯烷基、哌啶基、吗啉基和 NHR； 其中 R 是烷基、苄基、环己基或 1-羟乙基； 条件是 X2 是 D-丙氨酰、D-缬氨酰、D-正缬氨酰、D-亮氨酰，D-异亮氨酰，D-正亮氨酰或 C-甲基丙氨酰； X4 是 L-苯丙氨酰、L-4-硝基苯丙氨酰、L-4-氯苯丙氨酰或 L-4-甲基苯丙氨酰； X5 是 D-亮氨酰，D-甲酰基，D-脯氨酰，L-亮氨酰，L-甲酰基，L-脯氨酰，D-甲酰基亚砜，D-甲酰基砜，L-甲酰基亚砜或 L-甲酰基砜； 然后 R'不是 L-丝氨酰，D-丝氨酰，L-苏氨酰，D-苏氨酰，吡咯烷基，哌啶基，吗啉基或 NHR； 其中 R 为一至二十个碳原子的烷基； 此外，当 X2 为 D-丝氨酰、D-苯丙氨酰或 D-蛋氨酰时； X' 是 L-亮氨酰或 L-蛋氨酰； 则 R 不是一至三个碳原子的烷基；此外，当 X2 是 D-甲酰基 X' 是 L-苯丙氨酰； X'是 L-脯氨酰 则 R 不是乙基，含有它们的药物制剂以及它们在医学中作为吗啡类制剂和麻醉剂的用途。
• Peptides, their salts, their acid addition salts, pharmaceutical formulations containing them and their use as morphine antagonists and anaesthetics
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0002236B1

  公开（公告）日：1986-02-05
• US3934004A
  申请人：——

  公开号：US3934004A

  公开（公告）日：1976-01-20
• US4162307A
  申请人：——

  公开号：US4162307A

  公开（公告）日：1979-07-24
• US4244945A
  申请人：——

  公开号：US4244945A

  公开（公告）日：1981-01-13