4-(Adamantan-1-yloxy)-3-oxo-butyric acid benzyl ester | 373649-24-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(Adamantan-1-yloxy)-3-oxo-butyric acid benzyl ester
• 英文别名: benzyl 4-(1-adamantyloxy)-3-oxobutanoate
• CAS: 373649-24-2
• 化学式: C₂₁H₂₆O₄
• 分子量: 342.435
• InChiKey: XHXWAYNMVQDQMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(Adamantan-1-yloxy)-3-oxo-butyric acid benzyl ester 在 溶剂黄146 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 4-(Adamantan-1-yloxy)-2-hydroxyimino-3-oxo-butyric acid benzyl ester
  参考文献：
  名称：

  Gastrin and cholecystokinin receptor ligands(II)

  摘要：

  取代咪唑（1）可作为血管紧张素II受体拮抗剂。这些化合物具有治疗高血压和充血性心力衰竭的活性。还描述了含有新型咪唑的药物组合物和使用它们的药物方法，单独或与其他药物一起使用，特别是利尿剂和非甾体抗炎药（NSAID）。

  公开号：

  US20030199565A1

文献信息

• Pyrazole derivatives and their use as gastrin and cholecystokin receptor ligands
  申请人：——

  公开号：US20030207874A1

  公开（公告）日：2003-11-06

  Compounds of formula (I), (IIa) or (IIb) wherein R 1 -R 6 , Z, Q and n are as defined in claim 1 and their pharmaceutically acceptable salts are ligands at gastrin and/or cholecystokinin receptors. Compositions comprising a compound of formula (I), (IIa) or (IIb) are also described. 1

  公式（I），（IIa）或（IIb）的化合物，其中R1-R6，Z，Q和n如权利要求1所定义，并且它们的药学上可接受的盐是胃泌素和/或胆囊收缩素受体的配体。还描述了包含公式（I），（IIa）或（IIb）化合物的组合物。
• US6878734B2
  申请人：——

  公开号：US6878734B2

  公开（公告）日：2005-04-12
• US6956053B2
  申请人：——

  公开号：US6956053B2

  公开（公告）日：2005-10-18
• [EN] GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II)<br/>[FR] LIGANDS (II) DE RECEPTEUR DE LA GASTRINE ET DE LA CHOLECYSTOKININE
  申请人：BLACK JAMES FOUNDATION

  公开号：WO2001085723A1

  公开（公告）日：2001-11-15

  Compounds of formula (I) and their pharmaceutically acceptable salts are ligands at gastrin and/or cholecystokinin receptors. X and Y are independently =N-, -N(R5)- (R5 being selected from H, Me, Et, Pr, Bn, -OH and -CH¿2COOR?6, wherein R6 represents H, Me, Et, Pr or Bn), =CH-, -S-, or -O-; R1 is H or C¿1?-C15 hydrocarbyl wherein up to three C atoms may optionally be replaced by N, O and/or S atoms, and up to three H atoms may optionally be replaced by halogen atoms; R?2¿ is selected from H, Me, Et, Pr and OH, each R2 being independently selected from H, Me, Et, Pr and OH when n is greater than 1; R3 (when n is 1) is selected from H, Me, Et and Pr; or (when n is greater than 1) each R3 is independently selected from H, Me, Et and Pr, or two R3 groups on neighbouring carbon atoms are linked to form a C¿3? to C6 carbocyclic ring, or two R?3¿ groups are absent from neighbouring carbon atoms which are linked by a double bond; or R?2 and R3¿ on the same carbon atom together represent an =O group; R4 is H or C¿1?-C15 hydrocarbyl wherein up to three C atoms may optionally be replaced by N, O and/or S atoms, and up to three H atoms may optionally be replaced by halogen atoms; Z is a diradical derived from an optionally substituted aromatic or non-aromatic C5 or C6 carbocycle, wherein 1, 2 or 3 C atoms are optionally replaced by N, O and/or S; Q is a 6-membered aromatic carbocycle (optionally substituted with 1 or 2 V groups and/or 1, 2 or 3 T groups) wherein 1, 2 or 3 C atoms are optionally replaced by N; V is -CO-NH-SO2-Ph, -SO2-NH-CO-Ph, -CH2OH, or a group of the formula -R?7¿U, (wherein U is -COOH, tetrazolyl, -CONHOH or -SO¿3?H; and R?7¿ is a bond; C¿1? to C6 hydrocarbylene, optionally substituted by hydroxy, amino or acetamido; -O-(C1 to C3 alkylene)-; -SO2NR?8-CHR9¿-; -CO-NR?8-CHR9-, R8 and R9¿ being independently selected from H and methyl; or -NH-(CO)¿c?-CH2-, c being 0 or 1); T is C1 to C6 hydrocarbyl, -NR?10R11¿ (wherein R?10 and R11¿ are independently selected from H, Me, Et, Pr or Bn), -OMe, -OH, -CH¿2?OH, halogen or trihalomethyl. Compositions comprising a compound of formula (I) are also described.
• [EN] PYRAZOLE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKIN IN RECEPTOR LIGANDS<br/>[FR] DERIVES DU PYRAZOLE ET LEUR UTILISATION COMME LIGANDS DES RECEPTEURS DE LA GASTRINE ET DE LA CHOLECYSTOKINE
  申请人：BLACK JAMES FOUNDATION

  公开号：WO2001090078A1

  公开（公告）日：2001-11-29

  Compounds of formula (I), (IIa) or (IIb) wherein R1-R6, Z, Q and n are as defined in claim 1 and their pharmaceutically acceptable salts are ligands at gastrin and/or cholecystokinin receptors. Compositions comprising a compound of formula (I), (IIa) or (IIb) are also described.