1'-(2-Fluorophenyl)spiro[[1,3]dioxolane-2,4'-cyclohexane]-1'-carboxylic acid | 179064-50-7

• 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: 1'-(2-Fluorophenyl)spiro[[1,3]dioxolane-2,4'-cyclohexane]-1'-carboxylic acid
• 英文别名: 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
• CAS: 179064-50-7
• 化学式: C₁₅H₁₇FO₄
• 分子量: 280.296
• InChiKey: HOKHAEBKQPVPEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1'-(2-Fluorophenyl)spiro[[1,3]dioxolane-2,4'-cyclohexane]-1'-carboxylic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 4-(2-fluorophenyl)-4-(hydroxymethyl)-cyclohexanone ethylene ketal
  参考文献：
  名称：

  Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors

  摘要：

  The synthesis and SAR of a series of 4,4-disubstituted cyclohexylbenzamide inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, highly selective, and orally bioavailable inhibitors demonstrating efficacy in both rat and non-human primate ex vivo pharmacodynamic models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.129
• 作为产物：
  描述：

  4-cyano-4-(2-fluorophenyl)cyclohexanone ethylene ketal 在 乙二醇 、 potassium hydroxide 作用下， 生成 1'-(2-Fluorophenyl)spiro[[1,3]dioxolane-2,4'-cyclohexane]-1'-carboxylic acid
  参考文献：
  名称：

  Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors

  摘要：

  The synthesis and SAR of a series of 4,4-disubstituted cyclohexylbenzamide inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, highly selective, and orally bioavailable inhibitors demonstrating efficacy in both rat and non-human primate ex vivo pharmacodynamic models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.129

文献信息

• Tricyclic spiro compounds process for their preparation and their use of
  申请人：SmithKline Beecham plc

  公开号：US05952325A1

  公开（公告）日：1999-09-14

  Novel amide derivatives of formula (I), processes for their preparation, pharmaceutical compositions containing them and their use as medicaments are disclosed. ##STR1##

  本发明揭示了公式(I)的新型酰胺衍生物，其制备方法，含有它们的制药组合物以及它们作为药物的用途。##STR1##
• Tricyclic spiro compounds as 5HT.sub.1D receptor antagonists
  申请人：SmithKline Beecham p.l.c.

  公开号：US05972979A1

  公开（公告）日：1999-10-26

  Novel heterocyclic derivatives, processes for their preparation, pharmaceutical compositions containing them and their use as medicaments are disclosed.

  本发明公开了新型杂环衍生物、其制备方法、含有它们的制药组合物以及它们作为药物的用途。
• US5952325A
  申请人：——

  公开号：US5952325A

  公开（公告）日：1999-09-14
• US5972979A
  申请人：——

  公开号：US5972979A

  公开（公告）日：1999-10-26
• [EN] TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS<br/>[FR] COMPOSES SPIRO TRICYCLIQUES, LEUR PROCEDE DE PREPARATION ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RECEPTEUR DE 5HT1D
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1996011934A1

  公开（公告）日：1996-04-25

  (EN) Novel amide derivatives of formula (I), processes for their preparation, pharmaceutical compositions containing them and their use as medicaments are disclosed.(FR) On décrit de nouveaux dérivés amides de la formule (I), des procédés de préparation de ceux-ci, des compositions pharmaceutiques contenant ces dérivés ainsi que l'utilisation de ceux-ci en tant que médicaments.