3-(2-{[5-(Adamantan-1-yloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]-amino}-1-hydroxy-ethyl)-benzoic acid methyl ester | 373649-14-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-(2-{[5-(Adamantan-1-yloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]-amino}-1-hydroxy-ethyl)-benzoic acid methyl ester
• 英文别名: methyl 3-[2-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-1-hydroxyethyl]benzoate
• CAS: 373649-14-0
• 化学式: C₃₁H₄₁N₃O₅
• 分子量: 535.684
• InChiKey: OFJAUPLBJDFATL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2-{[5-(Adamantan-1-yloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]-amino}-1-hydroxy-ethyl)-benzoic acid methyl ester 在 lithium hydroxide 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 甲醇 、 四氯化碳 、 乙腈 为溶剂， 生成 3-{2-[5-(Adamantan-1-yloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-4,5-dihydro-oxazol-5-yl}-benzoic acid
  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

• US6878734B2
  申请人：——

  公开号：US6878734B2

  公开（公告）日：2005-04-12
• [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.