2-Methyl-1,4,5,6-tetrahydropyrimidin-5-yl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride | 123579-75-9

• 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: 2-Methyl-1,4,5,6-tetrahydropyrimidin-5-yl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride
• 英文别名: 2-Methyl-1,4,5,6-tetrahydropyrimidin 5-yl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride；(2-methyl-1,4,5,6-tetrahydropyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride
• CAS: 123579-75-9
• 化学式: C₁₈H₃₀N₂O₂*ClH
• 分子量: 342.909
• InChiKey: VJFYEMUPRRHIOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.87
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  50.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-methylpyrimidin-5-yl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride 在 钯 氢气 、 Dichloromethane methanol water 作用下， 以 乙醇 为溶剂， 以to give 0.43 g of 2-methyl-1,4,5,6-tetrahydropyrimidin 5-yl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride的产率得到2-Methyl-1,4,5,6-tetrahydropyrimidin-5-yl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride
  参考文献：
  名称：

  1,3-diazocycloalkenes as muscarinic receptor blocking agents

  摘要：

  新的药理活性杂环衍生物作为肌肉型受体阻滞剂，有助于治疗胃肠道疾病，其化学式如下：##STR1##其中，取代基定义如下。

  公开号：

  US04973592A1

文献信息

• New heterocyclic derivatives
  申请人：ISTITUTO DE ANGELI S.p.A.

  公开号：EP0309425A3

  公开（公告）日：1990-06-27

  New pharmacologically active heterocyclic derivatives as muscarinic receptor blocking agents, useful for the treatment of gastrointestinal disorders of the following formula wherein R is hydrogen atom or C₁₋₉ alkyl optionally substituted by 2 or 3 radicals, which may be identical or different from each other, selected from aryl, cycloalkyl, hydroxy and carboxamide; R₁ may be any group indicated for R, or NHR₄, in which R₄ is hydrogen atom, C₁₋₄ alkyl substituted by -OOCR₅, in which R₅ is methyl sub­stituted by 2 or 3 radicals, which may be identical or different from each other, selected from aryl, cycloalkyl and hydroxy, or a cycloalkyl substituted by another cycloalkyl; R₂ is hydrogen atom, C₁₋₄ alkyl, a radical -OOCR₅, in which R₅ is as hereinbefore defined; R₃ is hydrogen atom or C₁₋₄ alkyl; n is 0, 1 or 2 provided that at least one among R, R₁, R₂ and R₃ is different from hydrogen atom.The tautomers of the compounds of formula (I) and acid addition salts thereof, as well as the processes for their preparation and pharmaceu­tical compositions containing them are also described

  新的药理活性杂环衍生物作为肌氨酸受体阻断剂，用于治疗以下化学式中的消化系统疾病，其中R是氢原子或C₁₋₉烷基，可由2或3个基团取代，这些基团可以相同或不同，从芳基、环烷基、羟基和羧酰胺中选择；R₁可以是任何R指示的基团，或NHR₄，在其中R₄是氢原子，C₁₋₄烷基，被-OOCR₅取代，其中R₅是甲基取代的2或3个基团，这些基团可以相同或不同，从芳基、环烷基和羟基中选择，或被另一个环烷基取代的环烷基；R₂是氢原子，C₁₋₄烷基，一个基团-OOCR₅，在其中R₅如前所定义；R₃是氢原子或C₁₋₄烷基；n为0、1或2，前提是R、R₁、R₂和R₃中至少有一个不同于氢原子。该化合物的互变异构体及其酸盐，以及其制备方法和含有它们的药物组合物也被描述。
• US4973592A
  申请人：——

  公开号：US4973592A

  公开（公告）日：1990-11-27