4-(1-isopropylpiperidin-4-yl)-2-(morpholin-4-yl)-4-oxobutyric acid | 1093218-02-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(1-isopropylpiperidin-4-yl)-2-(morpholin-4-yl)-4-oxobutyric acid
• 英文别名: 4-(1-Isopropylpiperidin-4-yl)-2-morpholin-4-yl-4-oxo-butyric acid；2-morpholin-4-yl-4-oxo-4-(1-propan-2-ylpiperidin-4-yl)butanoic acid
• CAS: 1093218-02-0
• 化学式: C₁₆H₂₈N₂O₄
• 分子量: 312.409
• InChiKey: KTENLCHAQHNDDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(1-isopropylpiperidin-4-yl)-2-(morpholin-4-yl)-4-oxobutyric acid 在 一水合肼 作用下， 以 仲丁醇 为溶剂， 以29%的产率得到6-(1-isopropylpiperidin-4-yl)pyridazin-3-on
  参考文献：
  名称：

  WO2008/154126

  摘要：

  公开号：

文献信息

• Heterocyclic H3 Antagonists
  申请人：Hohlweg Rolf

  公开号：US20100267721A1

  公开（公告）日：2010-10-21

  Compound of formula (I) wherein W, X, Y, Z is —C(R′)═ or N; R 1 is hydrogen or alkyl, V is N or C (i.e. carbon), A is a bond or an alkylene linker with 1 to 3 carbon atoms, with the proviso that when A is a bond, V must be CH, R is ethyl, propyl, a branched C 3-6 alkyl or a cyclic C 3-8 alkyl, m and n is 1-3, D is heteroaryl optionally substituted with halogen, hydroxy, cyano, alkyl, cycloalkyl, alkoxy, —(CH 2 ) o —(C═O) p —NR 2 R 3 , or D is aryl optionally substituted with one or more of the groups independently selected from hydrogen, halogen, hydroxy, cyano, alkyl, cycloalkyl, haloalkyl, alkoxy, haloalkoxy, alkylsulfonyl, alkylsulfinyl, heterocyclyl, heterocyclylalkyl, heterocyclyl-alkoxy, heterocyclylcarbonyl, alkylcarbonyl, alkoxycarbonyl, alkylcarboxy, cyanoalkyl, hydroxyalkyl, alkoxyalkyl, alkylcarbonylamino, alkylcarbonylaminoalkyl, arylcarbonylamino, aryl-carbonylaminoalkyl, heteroarylcarbonylamino or heteroarylcarbonylaminoalkyl, —(CH 2 ) 0 —(C═O) p —NR 2 R 3 , wherein o is 0-3, p is 0 or 1, and R 2 and R 3 independently are hydrogen, alkyl or cycloalkyl; or R 2 and R 3 , can together with the attached nitrogen form a heterocyclyl group, and salts and solvates thereof have binding affinity for the histamine H3 receptor.

  公式（I）的化合物，其中W，X，Y，Z是- C（R'）═或N; R1为氢或烷基，V为N或C（即碳），A为键或具有1至3个碳原子的烷基链，但当A为键时，V必须为CH，R为乙基，丙基，支链C3-6烷基或环状C3-8烷基，m和n为1-3，D为杂环芳基，可选择地被卤素，羟基，氰基，烷基，环烷基，烷氧基，-（CH2）o-（C═O）p-NR2R3取代，或D为芳基，可选择地被氢，卤素，羟基，氰基，烷基，环烷基，卤代烷基，烷氧基，卤代烷氧基，烷基磺酰基，烷基亚磺酰基，杂环芳基，杂环芳基烷基，杂环芳基-烷氧基，杂环芳基羰基，烷基羰基，烷氧羰基，烷基羧基，氰基烷基，羟基烷基，烷氧基烷基，烷基羰氨基，烷基羰氨基烷基，芳基羰氨基，芳基-羰氨基烷基，杂环芳基羰氨基或杂环芳基-羰氨基烷基，-（ ）0-（C═O）p-NR2R3，其中o为0-3，p为0或1，且R2和R3独立地为氢，烷基或环烷基; 或R2和R3可以与连接的氮一起形成杂环芳基基团，以及其盐和溶剂化物具有对组胺H3受体的结合亲和力。
• Heterocyclic H3 antagonists
  申请人：High Point Pharmaceuticals, LLC

  公开号：US08344001B2

  公开（公告）日：2013-01-01

  Compound of formula (I) wherein W, X, Y, Z is —C(R1)═ or N; R1 is hydrogen or alkyl, V is N or C (i.e. carbon), A is a bond or an alkylene linker with 1 to 3 carbon atoms, with the proviso that when A is a bond, V must be CH, R is ethyl, propyl, a branched C3-6 alkyl or a cyclic C3-8 alkyl, m and n is 1-3, D is heteroaryl optionally substituted with halogen, hydroxy, cyano, alkyl, cycloalkyl, alkoxy, —(CH2)0—(C═O)p—NR2R3, or D is aryl optionally substituted with one or more of the groups independently selected from hydrogen, halogen, hydroxy, cyano, alkyl, cycloalkyl, haloalkyl, alkoxy, haloalkoxy, alkylsulfonyl, alkylsulfinyl, heterocyclyl, heterocyclylalkyl, heterocyclyl-alkoxy, heterocyclylcarbonyl, alkylcarbonyl, alkoxycarbonyl, alkylcarboxy, cyanoalkyl, hydroxyalkyl, alkoxyalkyl, alkylcarbonylamino, alkylcarbonylaminoalkyl, arylcarbonylamino, aryl-carbonylaminoalkyl, heteroarylcarbonylamino or heteroarylcarbonylaminoalkyl, —(CH2)0—(C═O)p—NR2R3, wherein o is 0-3, p is 0 or 1, and R2 and R3 independently are hydrogen, alkyl or cycloalkyl; or R2 and R3, can together with the attached nitrogen form a heterocyclyl group, and salts and solvates thereof have binding affinity for the histamine H3 receptor.

  化合物的公式(I)，其中W、X、Y、Z为—C(R1)═或N；R1为氢或烷基，V为N或C（即碳），A为键或具有1至3个碳原子的烷基链，但当A为键时，V必须为CH，R为乙基、丙基、支链C3-6烷基或环状C3-8烷基，m和n为1-3，D为杂环芳基，可选地取代卤素、羟基、氰基、烷基、环状烷基、烷氧基、—(CH2)0—(C═O)p—NR2R3，或D为芳基，可选地取代一个或多个独立选择的基团，包括氢、卤素、羟基、氰基、烷基、环状烷基、卤代烷基、烷氧基、卤代烷氧基、烷基磺酰基、烷基亚砜基、杂环烷基、杂环烷基烷基、杂环烷氧基、杂环烷基羰基、烷基羰基、烷氧羰基、烷基羧基、氰基烷基、羟基烷基、烷氧基烷基、烷基羰基氨基、烷基羰基氨基烷基、芳基羰基氨基、芳基-羰基氨基烷基、杂环芳基羰基氨基或杂环芳基羰基氨基烷基，—( )0—(C═O)p—NR2R3，其中o为0-3，p为0或1，且R2和R3独立地为氢、烷基或环状烷基；或R2和R3可以与连接的氮一起形成杂环烷基，其盐和溶剂化物具有对组胺H3受体的结合亲和力。
• New heteocyclic h3 antagonists
  申请人：TRANSTECH PHARMA

  公开号：EP2014656A2

  公开（公告）日：2009-01-14

  Compound of formula I wherein W, X, Y, Z is -C(R1)= or N; R1 is hydrogen or alkyl, V is N or C (i.e. carbon), A is a bond or an alkylene linker with 1 to 3 carbon atoms, with the proviso that when A is a bond, V must be CH, R is ethyl, propyl, a branched C3-6 alkyl or a cyclic C3-8 alkyl, m and n is 1-3, D is heteroaryl optionally substituted with halogen, hydroxy, cyano, alkyl, cycloalkyl, alkoxy, -(CH2)o-(C=O)p-NR2R3, or D is aryl optionally substituted with one or more of the groups independently selected from hydrogen, halogen, hydroxy, cyano, alkyl, cycloalkyl, haloalkyl, alkoxy, haloalkoxy, alkylsulfonyl, alkylsulfinyl, heterocyclyl, heterocyclylalkyl, heterocyclylalkoxy, heterocyclylcarbonyl, alkylcarbonyl, alkoxycarbonyl, alkylcarboxy, cyanoalkyl, hydroxyalkyl, alkoxyalkyl, alkylcarbonylamino, alkylcarbonylaminoalkyl, arylcarbonylamino, arylcarbonylaminoalkyl, heteroarylcarbonylamino or heteroarylcarbonylaminoalkyl, -(CH2)o-(C=O)p-NR2R3, wherein o is 0-3, p is 0 or 1, and R2 and R3 independently are hydrogen, alkyl or cycloalkyl; or R2 and R3 can together with the attached nitrogen form a heterocyclyl group, and salts and solvates thereof have binding affinity for the histamine H3 receptor.

  式 I 的化合物 其中 W、X、Y、Z 为-C(R1)= 或 N；R1 为氢或烷基，V 为 N 或 C（即碳）、 A 是键或具有 1 至 3 个碳原子的亚烷基连接体，但当 A 是键时，V 必须是 CH，R 是乙基、丙基、支链 C3-6 烷基或环状 C3-8 烷基，m 和 n 是 1-3，D 是可选被卤素取代的杂芳基、羟基、氰基、烷基、环烷基、烷氧基、-(CH2)o-(C=O)p-NR2R3，或 D 是芳基，可任选被一个或多个独立选自氢、卤素、羟基、氰基、烷基、环烷基、卤代烷基、烷氧基、卤代烷氧基、卤代烷氧基的基团取代、烷氧基、卤代烷氧基、烷基磺酰基、烷基亚磺酰基、杂环烷基、杂环烷基、杂环烷氧基、杂环羰基、烷基羰基、烷氧基羰基、烷基羧基、氰基烷基、羟基烷基、烷氧基烷基、烷基羰基氨基、烷基羰基氨基、烷基羰基氨基烷基、芳基羰基氨基、芳基羰基氨基烷基、杂芳基羰基氨基或杂芳基羰基氨基烷基、-( )o-(C=O)p-NR2R3，其中 o 为 0-3，p 为 0 或 1，R2 和 R3 独立地为氢、烷基或环烷基；或 R2 和 R3 可与相连的氮一起形成杂环基，其盐和溶液对组胺 H3 受体具有结合亲和力。
• NEW HETEOCYCLIC H3 ANTAGONISTS
  申请人：High Point Pharmaceuticals, LLC

  公开号：EP2166850A1

  公开（公告）日：2010-03-31
• US8344001B2
  申请人：——

  公开号：US8344001B2

  公开（公告）日：2013-01-01