6-异喹啉甲酸乙酯 | 188861-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 6-异喹啉甲酸乙酯
• 英文名称: Ethyl isoquinoline-6-carboxylate
• CAS: 188861-58-7
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.22
• InChiKey: XZSXCFWWZHTJMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-异喹啉甲酸乙酯 在 N-氯代丁二酰亚胺 、 N-溴代丁二酰亚胺(NBS) 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 64.0h， 生成 Ethyl 8-bromo-4-chloroisoquinoline-6-carboxylate
  参考文献：
  名称：

  [EN] NOVEL ACC INHIBITORS
  [FR] NOUVEAUX INHIBITEURS DE L'ACC

  摘要：

  A compound having the structures: Formulae (Ia) or (Ib) or a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable solvate of said compound or pharmaceutically acceptable salt, wherein; R selected from the group consisting of H, C1-C6alkyl, C1-C6alkoxy and -(CH2)m-W, where W is C3-C8cycloalkyl, bicycloalkyl, bridged bicycloalkyl, phenyl,, 5- or 6-membered heteroaryl or heterocyclic containing one, two or three heteroatoms selected from the group consisting of N, S and O atoms; wherein each of said alkyl, cycloalkyl, alkoxy, heterocyclic, phenyl, naphthyl or heteroaryl may be unsubstituted or substituted by phenyl, halo, cyano, deuterium, hydroxy, C1-C6alkyl, C1-C6alkoxy, -SO2-R', - CONR'R", NR'COR", -NR'CONR'R", -NR'CO2R", -(CH2)n-SO2-R', -NHSO2-R', -NR"SO2-R', - SO2NR'R", NR'R" or SR' where R' and R'' are independently H, C1-C6alkyl or C3-C8cycloalkyl; R1selected from the group consisting of phenyl, naphthyl, 5- or 6-membered heteroaryl or heterocyclic containing one, two, three or four heteroatoms selected from the group consisting of N, S and O atoms; and, a 9- or 10-membered bicyclic aryl, heteroaryl or heterocyclic containing one, two or three heteroatoms selected from the group consisting of N, S and O atoms; wherein each of said phenyl, naphthyl, aryl, heterocyclic, or heteroaryl may be unsubstituted or substituted by halo, cyano, deuterium, hydroxy, C1-C6alkyl, C1-C6alkoxy, phenyl, -SO2-R', -CONR'R", NR'COR", -NR'CONR'R", -NR'CO2R", -(CH2)n-SO2-R', -NHSO2-R', -NR"SO2-R, -SO2NR'R", P(O)R'R", Formula (Ic), or NR'R"' or SR' where R' and R'' are independently H, C1-C6alkyl or C3-C8cycloalkyl; and,mandnare independently 0, 1, 2 or 3. The invention also relates to pharmaceutically acceptable salts of these compounds and to pharmaceutically acceptable solvates thereof; to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly acne.

  公开号：

  WO2024023727A1

文献信息

• Methods of treating alzheimer's disease
  申请人：Nieman A. James

  公开号：US20060079533A1

  公开（公告）日：2006-04-13

  Disclosed are methods for treating Alzheimer's disease, and other diseases, and/or inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of 3,4-disubstituted piperidinyl compounds of formula (I) wherein the variables R 1 , R 2 , R 3 , R 4 , Q, W, X, Z, m, and n are defined herein.

  本发明公开了一种治疗阿尔茨海默病和其他疾病、抑制β-分泌酶酶和/或抑制哺乳动物中A beta肽沉积的方法，使用式(I)的3,4-二取代哌啶基化合物，其中变量R1、R2、R3、R4、Q、W、X、Z、m和n在此定义。
• US6051712A
  申请人：——

  公开号：US6051712A

  公开（公告）日：2000-04-18
• US6150526A
  申请人：——

  公开号：US6150526A

  公开（公告）日：2000-11-21
• [EN] METHODS OF TREATING ALZHEIMER'S DISEASE<br/>[FR] METHODES DE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：ELAN PHARM INC

  公开号：WO2002076440A2

  公开（公告）日：2002-10-03

  Disclosed are methods for treating Alzheimer's disease, and other diseases, and/or inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of 3,4-disubstituted piperidinyl compounds of formula (I) wherein the variables R?1, R2, R3, R4¿, Q, W, X, Z, m, and n are defined herein.
• [EN] NOVEL ACC INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE L'ACC
  申请人：[en]PFIZER INC.

  公开号：WO2024023727A1

  公开（公告）日：2024-02-01

  A compound having the structures: Formulae (Ia) or (Ib) or a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable solvate of said compound or pharmaceutically acceptable salt, wherein; R selected from the group consisting of H, C1-C6alkyl, C1-C6alkoxy and -(CH2)m-W, where W is C3-C8cycloalkyl, bicycloalkyl, bridged bicycloalkyl, phenyl,, 5- or 6-membered heteroaryl or heterocyclic containing one, two or three heteroatoms selected from the group consisting of N, S and O atoms; wherein each of said alkyl, cycloalkyl, alkoxy, heterocyclic, phenyl, naphthyl or heteroaryl may be unsubstituted or substituted by phenyl, halo, cyano, deuterium, hydroxy, C1-C6alkyl, C1-C6alkoxy, -SO2-R', - CONR'R", NR'COR", -NR'CONR'R", -NR'CO2R", -(CH2)n-SO2-R', -NHSO2-R', -NR"SO2-R', - SO2NR'R", NR'R" or SR' where R' and R'' are independently H, C1-C6alkyl or C3-C8cycloalkyl; R1selected from the group consisting of phenyl, naphthyl, 5- or 6-membered heteroaryl or heterocyclic containing one, two, three or four heteroatoms selected from the group consisting of N, S and O atoms; and, a 9- or 10-membered bicyclic aryl, heteroaryl or heterocyclic containing one, two or three heteroatoms selected from the group consisting of N, S and O atoms; wherein each of said phenyl, naphthyl, aryl, heterocyclic, or heteroaryl may be unsubstituted or substituted by halo, cyano, deuterium, hydroxy, C1-C6alkyl, C1-C6alkoxy, phenyl, -SO2-R', -CONR'R", NR'COR", -NR'CONR'R", -NR'CO2R", -(CH2)n-SO2-R', -NHSO2-R', -NR"SO2-R, -SO2NR'R", P(O)R'R", Formula (Ic), or NR'R"' or SR' where R' and R'' are independently H, C1-C6alkyl or C3-C8cycloalkyl; and,mandnare independently 0, 1, 2 or 3. The invention also relates to pharmaceutically acceptable salts of these compounds and to pharmaceutically acceptable solvates thereof; to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly acne.