4-(3-Hydroxybutyl)-4-hydroxy-cyclohexanone ethylene ketal | 142283-62-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(3-Hydroxybutyl)-4-hydroxy-cyclohexanone ethylene ketal
• 英文别名: 8-(3-Hydroxybutyl)-1,4-dioxaspiro[4.5]decan-8-ol
• CAS: 142283-62-3
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: BNPIMYURYYFYIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,4-环己二酮单乙二醇缩酮 在 氯化亚铜 碘 、 magnesium 作用下， 以 四氢呋喃 、 N-甲基乙酰胺 、 乙醇 、 水 为溶剂， 生成 4-(3-Hydroxybutyl)-4-hydroxy-cyclohexanone ethylene ketal
  参考文献：
  名称：

  Certain aryl substituted pyrrolopyrazines; a new class of gaba brain

  摘要：

  这项发明涵盖了式(I)的化合物及其药用可接受的无毒盐，其中(Ia)代表(i)或(ii)，其中n为0、1或2：R.sub.1和R.sub.2为氢或直链或支链烷基基团；Y代表各种有机和无机取代基；W代表带有各种有机和无机取代基的芳香基团；A为CH或N；B为取代或未取代的碳或N；E为氢或直链或支链烷基基团。这些化合物是GABAa脑受体的高度选择性激动剂、拮抗剂或逆激动剂，或其前药，可用于焦虑、睡眠和癫痫障碍的诊断和治疗、苯二氮卓类药物过量和警觉性增强。

  公开号：

  US05606059A1

文献信息

• Certain cycloalkyl and azacycloalkyl pyrrolopyridines; a new class of
  申请人：Neurogen Corporation

  公开号：US05367077A1

  公开（公告）日：1994-11-22

  The present invention encompasses compounds of the formula: ##STR1## and pharmaceutically acceptable non-toxic salts thereof wherein: A represents nitrogen or C--H, and B represents nitrogen or C--H, with the proviso that when A is nitrogen, B is C--H, and when B is nitrogen, A is C--H; n is 0, 1, or 2; Y represents nitrogen or carbon, each of which is substituted with various organic or inorganic substituents; W represents an aromatic group unsubstituted or substituted with various organic or inorganic substituents; and R1 and R2 are the same or different and represent hydrogen or lower alkyl. These compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs thereof and are useful in the diagnosis and treatment of anxiety, sleep, and seizure disorders, overdose with benzodiazepine type drugs, and enhancement of alertness.

  本发明包括具有以下公式的化合物：##STR1##以及药用上可接受的非毒性盐，其中：A代表氮或C--H，B代表氮或C--H，条件是当A是氮时，B是C--H，当B是氮时，A是C--H；n是0，1或2；Y代表氮或碳，每个都可以被不同的有机或无机取代基取代；W代表未被取代或被各种有机或无机取代基取代的芳香族基团；R1和R2相同或不同，代表氢或低级烷基。这些化合物是对GABAa脑受体的选择性激动剂、拮抗剂或反向激动剂，或者是其前药，并且在诊断和治疗焦虑、睡眠和癫痫障碍、苯二氮卓类药物过量以及提高警觉性方面是有用的。
• Certain cycloalkyl and azacycloalkyl pyrrolopyrimidines; a new class of
  申请人：Neurogen Corporation

  公开号：US05216159A1

  公开（公告）日：1993-06-01

  The invention encompasses a compound of the formula ##STR1## and the pharmaceutically acceptable non-toxic salts thereof wherein X, W, Y, R, and R2 are variables. These compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs thereof and are useful in the diagnosis and treatment of anxiety, sleep, and seizure disorders, overdose with benzodiazepine type drugs, and enhancement of alertness.

  这项发明涵盖了一个公式为##STR1##的化合物及其药用可接受的无毒盐，其中X、W、Y、R和R2是变量。这些化合物是高度选择性的GABAa脑受体的激动剂、拮抗剂或逆拮抗剂，或其前药，可用于诊断和治疗焦虑、睡眠和癫痫障碍、苯二氮卓类药物过量以及增强警觉性。
• Certain aryl substituted pyrrolopyrazines; a new class of GABA brain
  申请人：Neurogen Corporation

  公开号：US05286860A1

  公开（公告）日：1994-02-15

  This invention encompasses compounds of the formula: ##STR1## and pharmaceutically acceptable non-toxic salts thereof wherein: ##STR2## represents: ##STR3## where n is 0, 1, or 2; R.sub.1 and R.sub.2 are hydrogen or straight or branched chain alkyl groups; Y represents various organic and inorganic substituents; W represents an aromatic group substituted with various organic and inorganic substituents; A is CH or N; B is a substituted or unsubstituted carbon or N; and E is hydrogen or straight or branched alkyl groups These compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs thereof and are useful in the diagnosis and treatment of anxiety, sleep, and seizure disorders, overdose with benzodiazepine type drugs, and enhancement of alertness.

  这项发明涵盖了以下结构的化合物：##STR1##及其药用上可接受的无毒盐，其中：##STR2##代表：##STR3##其中n为0、1或2；R.sub.1和R.sub.2为氢或直链或支链烷基基团；Y代表各种有机和无机取代基；W代表芳香族基，取代有各种有机和无机取代基；A为CH或N；B为取代或未取代的碳或N；E为氢或直链或支链烷基基团。这些化合物是高度选择性的GABAa脑受体的激动剂、拮抗剂或逆拮抗剂，或其前药，可用于焦虑、睡眠和癫痫障碍的诊断和治疗、苯二氮卓类药物过量和警觉度的增强。
• Certain aryl substituted pyrrolopyrazines; a new class of gaba brain
  申请人：Neurogen Corporation

  公开号：US05606059A1

  公开（公告）日：1997-02-25

  This invention encompasses compounds of formula (I) and pharmaceutically acceptable non-toxic salts thereof wherein (Ia) represents (i) or (ii) where n is 0, 1, or 2: R.sub.1 and R.sub.2 are hydrogen or straight or branched chain alkyl groups; Y various organic and inorganic substituents; W represents an aromatic group substituted with various organic and inorganic substituents; A is CH or N; B is a substituted or unsubstituted carbon or N; and E is hydrogen or straight or branched alkyl groups. These compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs thereof and are useful in the diagnosis and treatment of anxiety, sleep, and seizure disorders, overdose with benzodiazepine type drugs, and enhancement of alertness.

  这项发明涵盖了式(I)的化合物及其药用可接受的无毒盐，其中(Ia)代表(i)或(ii)，其中n为0、1或2：R.sub.1和R.sub.2为氢或直链或支链烷基基团；Y代表各种有机和无机取代基；W代表带有各种有机和无机取代基的芳香基团；A为CH或N；B为取代或未取代的碳或N；E为氢或直链或支链烷基基团。这些化合物是GABAa脑受体的高度选择性激动剂、拮抗剂或逆激动剂，或其前药，可用于焦虑、睡眠和癫痫障碍的诊断和治疗、苯二氮卓类药物过量和警觉性增强。