1-(4-氯苯基)-3-羟基环丁烷-1-羧酸 | 1145681-01-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-氯苯基)-3-羟基环丁烷-1-羧酸
• 中文别名: 1-(4-氯苯基)-3-羟基环丁烷羧酸
• 英文名称: trans-1-(4-chlorophenyl)-3-hydroxycyclobutanecarboxylic acid
• 英文别名: 1-(4-Chlorophenyl)-3-hydroxycyclobutanecarboxylic acid；1-(4-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
• CAS: 1145681-01-1
• 化学式: C₁₁H₁₁ClO₃
• 分子量: 226.66
• InChiKey: PQVUQOBVSQOFKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  1-(4-氯苯基)-3-羟基环丁烷-1-羧酸 在 四(三苯基膦)钯 、 叠氮磷酸二苯酯 、 potassium acetate 、 palladium diacetate 、 sodium carbonate 、 triethylamine tris(hydrogen fluoride) 、 三乙胺 、 N,N-二异丙基乙胺 、 ethanaminium,N-(difluoro-λ⁴-sulfanylidene)-N-ethyl-,tetrafluoroborate 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 potassium hydroxide 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 异丙醇 、 乙腈 、 叔丁醇 为溶剂， 反应 5.08h， 生成
  参考文献：
  名称：

  [EN] INHIBITORS OF AKT KINASE
  [FR] COMPOSÉS PHARMACEUTIQUEMENT ACTIFS

  摘要：

  公开号：

  WO2016102672A3
• 作为产物：
  描述：

  环氧氯丙烷 、 对氯苯乙酸 在 异丙基氯化镁 作用下， 以 四氢呋喃 为溶剂， 反应 22.67h， 以59%的产率得到1-(4-氯苯基)-3-羟基环丁烷-1-羧酸
  参考文献：
  名称：

  Convergent, Kilogram Scale Synthesis of an Akt Kinase Inhibitor

  摘要：

  The development of a convergent, chromatography-free synthesis of an allosteric Akt kinase inhibitor is described. The route comprised 17 total steps and was used to produce kilogram quantities of the target molecule. A key early transformation, for which both batch and flow protocols were developed, was formylation of a dianion derived by deprotonation and subsequent lithium-halogen exchange from a 2-bromo-3-aminopyridine precursor. Improved reaction yield and practicality were achieved in the continuous processing mode. Further significant process developments included the safe execution of a high temperature and pressure hydrazine displacement, separation of substituted cyclobutane diastereomers by means of chemoselective ester hydrolysis, and a late-stage Suzuki fragment coupling under mild conditions.

  DOI：

  10.1021/op300031r

文献信息

• [EN] AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS<br/>[FR] COMPOSÉS AMIDO ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：INCYTE CORP

  公开号：WO2005110992A1

  公开（公告）日：2005-11-24

  The present invention relates to inhibitors of 11-ß hydroxyl steroid dehydrogenase type 1, antagonists of the mineralocorticoid receptor (MR), and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-ß hydroxyl steroid dehydrogenase type 1 and/or diseases associated with aldosterone excess.

  本发明涉及11-ß羟基类固醇脱氢酶类型1的抑制剂、矿皮质激素受体（MR）拮抗剂以及其药物组合物。该发明的化合物可用于治疗与11-ß羟基类固醇脱氢酶类型1的表达或活性以及醛固酮过量相关的各种疾病。
• Amido compounds and their use as pharmaceuticals
  申请人：Yao Wenqing

  公开号：US20050282858A1

  公开（公告）日：2005-12-22

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1, antagonists of the mineralocorticoid receptor (MR), and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1 and/or diseases associated with aldosterone excess.

  本发明涉及11-β羟基类固醇脱氢酶1型的抑制剂，矿物质皮质激素受体（MR）的拮抗剂以及其制药组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶1型的表达或活性有关的各种疾病和/或与醛固酮过多有关的疾病。
• Amido Compounds And Their Use As Pharmaceuticals
  申请人：Yao Wenqing

  公开号：US20080255154A1

  公开（公告）日：2008-10-16

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1, antagonists of the mineralocorticoid receptor (MR), and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1 and/or diseases associated with aldosterone excess.

  本发明涉及11-β羟基类固醇脱氢酶1型的抑制剂、矿物质皮质激素受体（MR）的拮抗剂及其制药组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶1型的表达或活性有关的各种疾病和/或与醛固酮过多有关的疾病。
• Pharmaceutically active compounds
  申请人：BERGENBIO ASA

  公开号：US10336702B2

  公开（公告）日：2019-07-02

  The invention is directed to compounds of general formula (I), and pharmaceutical compositions containing such compounds. The compounds and compositions have valuable pharmaceutical properties. In particular, they may be used for the treatment of cancer. Novel intermediates and novel methods of preparation are also disclosed.

  本发明涉及通式（I）化合物和含有此类化合物的药物组合物。这些化合物和组合物具有宝贵的药物特性。特别是，它们可用于治疗癌症。本发明还公开了新型中间体和新型制备方法。
• AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS
  申请人：INCYTE CORPORATION

  公开号：EP1756063A1

  公开（公告）日：2007-02-28