双环[2.2.1]庚烷-7-羧酸 | 5971-67-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 双环[2.2.1]庚烷-7-羧酸
• 英文名称: Bicyclo<2,2,1>heptan-7-carbonsaeure
• 英文别名: bicyclo[2.2.1]heptane-7-carboxylic acid；bicyclo<2.2.1>heptane-7-carboxylic acid
• CAS: 5971-67-5
• 化学式: C₈H₁₂O₂
• mdl: MFCD19228121
• 分子量: 140.182
• InChiKey: JTOORKXBTBVURJ-UHFFFAOYSA-N

物化性质

• 熔点：
  77.5-78.5 °C
• 沸点：
  80-82 °C(Press: 12 Torr)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916209090

反应信息

• 作为反应物：
  描述：

  双环[2.2.1]庚烷-7-羧酸 在 吡啶 作用下， 以 乙醚 、 丙酮 为溶剂， 反应 7.0h， 生成 Bicyclo<2.2.1>hept-7-ylmethylketoxim-pikrat
  参考文献：
  名称：

  Langhals, Heinz; Ruechardt, Christoph, Chemische Berichte, 1981, vol. 114, # 12, p. 3831 - 3854

  摘要：

  DOI：
• 作为产物：
  描述：

  7-溴双环[2.2.1]庚烷 在 碘 、 magnesium 、 二氧化碳 作用下， 以 乙醚 为溶剂， 反应 3.5h， 生成 双环[2.2.1]庚烷-7-羧酸
  参考文献：
  名称：

  2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors: Enzyme−Ligand Co-Crystal Structure and Demonstration of Pharmacodynamic Effects in C57Bl/6 Mice

  摘要：

  11 beta-Hydroxy steroid dehydrogenase type 1 (11 beta-HSD1) has attracted considerable attention during the past few years as a potential target for the treatment of diseases associated with metabolic syndrome. In our ongoing work on 11-HSD1 inhibitors, a series of new 2-amino-1,3-thiazol-4(5H)-ones were explored. By inserting various cycloalkylamines at the 2-position and alkyl groups or spirocycloalkyl groups at the 5-position of the thiazolone, several potent 11 beta-HSD1 inhibitors were identified. An X-ray cocrystal structure of human 11 beta-HSD1 with compound 6d (K-i = 28 nM) revealed a large lipophilic pocket accessible by substitution off the 2-position of the thiazolone. To increase potency, analogues were prepared with larger lipophilic groups at this position. One of these compounds, the 3-noradamantyl analogue 8b, was a potent inhibitor of human 11 beta-HSD 1 (K-i = 3 nM) and also inhibited 11 beta-HSD1 activity in lean C57BI/6 mice when evaluated in an ex vivo adipose and liver cortisone to cortisol conversion assay.

  DOI：

  10.1021/jm701551j

文献信息

• Pyrrolidine compounds and medicinal utilization thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US06468998B1

  公开（公告）日：2002-10-22

  The present invention provides a pyrrolidine compound of the formula (I) wherein each symbol is as defined in the specification, an optically active compound thereof and a pharmaceutically acceptable salt thereof. The present invention further provides a pharmaceutical composition containing a compound of the formula (I), an optically active compound thereof, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable additive. The compound of the present invention has a serotonin 2 receptor antagonistic action along with a platelet aggregation suppressive action, a peripheral circulation improving action and a lacrimation promoting action. Therefore, the compound of the present invention can be a useful medicine showing effect against thrombotic embolism, dry eye and the like.

  本发明提供了一种式(I)的吡咯烷化合物，其中每个符号如规范中定义，以及其光学活性化合物和药学上可接受的盐。本发明还提供了一种含有式(I)的化合物、其光学活性化合物或药学上可接受的盐以及药学上可接受的添加剂的药物组合物。本发明的化合物具有血清素2受体拮抗作用，同时具有抑制血小板聚集、改善外周循环和促进泪液分泌的作用。因此，本发明的化合物可以是一种有益的药物，对抗血栓栓塞、干眼症等具有一定效果。
• Über die Reaktion 1,2-disubstituierter Norbornane mit Dinatriumtetracarbonylferrat(-II). Vorläufige Mitteilung
  作者：Hugo Camenzind、Ulrich Christian Vögeli、Reinhart Keese

  DOI：10.1002/hlca.19830660118

  日期：1983.2.2

  Reductive elimination at 1,2exo-diiodonorbornane (6) was induced by Collman's reagent. Surprisingly, 1,2endo-diiodonorbornane (9) and 1-iodo-2endo-trifluoromethylsulfonyloxy-norbornane (10b) lead only to reactions of the substituent in 2-position. Mechanistic aspects are related to the reactions of monosubstituted iodonorbornanes with Collman's reagent.

  Collman试剂诱导了1,2 exo- diiodonorbornane（6）的还原消除。令人惊讶的是，1,2-内-二碘代降冰片烷（9）和1- io -2-内-三氟甲基磺酰氧基-降冰片烷（10b）仅导致取代基在2-位的反应。机械方面涉及单取代的碘硼烷与Collman试剂的反应。
• [EN] BICYCLIC INDOLYL DERIVATIVES AND METHODS OF THEIR USE AS SEROTONERGIC AGENTS<br/>[FR] DERIVES D'INDOLYLE BICYCLIQUES, ET PROCEDES RELATIFS A LEUR UTILISATION COMME AGENTS SEROTONERGIQUES
  申请人：WYETH CORP

  公开号：WO2004111035A1

  公开（公告）日：2004-12-23

  Bicyclic indolyl derivatives and compositions containing such compounds are disclosed. Methods of using the bicyclic indolyl derivatives and compositions containing such composition as serotonergic agents, such as in the treatment of depression and anxiety, are also disclosed. In addition, processes for the preparation of bicyclic indolyl derivatives are disclosed.

  本文披露了双环吲哚衍生物及含有这种化合物的组合物。还披露了使用双环吲哚衍生物和含有这种组合物作为5-羟色胺能药物的方法，例如用于治疗抑郁症和焦虑症。此外，还披露了制备双环吲哚衍生物的过程。
• Bicyclic indolyl derivatives and methods for their use as serotonergic agents
  申请人：Kelly G. Michael

  公开号：US20050124630A1

  公开（公告）日：2005-06-09

  Bicyclic indolyl derivatives and compositions containing such compounds are disclosed. Methods of using the bicyclic indolyl derivatives and compositions containing such composition as serotonergic agents, such as in the treatment of depression and anxiety, are also disclosed. In addition, processes for the preparation of bicyclic indolyl derivatives are disclosed.

  本发明公开了双环吲哚衍生物和含有这些化合物的组合物。还公开了使用双环吲哚衍生物和含有这种组合物作为血清素能药物的方法，例如用于治疗抑郁症和焦虑症。此外，还公开了制备双环吲哚衍生物的方法。
• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF
  申请人：Florjancic S. Alan

  公开号：US20080064699A1

  公开（公告）日：2008-03-13

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable salts, prodrugs, salts of prodrugs, or combinations thereof, wherein R 1 , R 2 , R 3 , R 4 , and L 2 , are defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本发明涉及式（I）的化合物，或其药学上可接受的盐，前药，前药盐或其组合物，其中R1，R2，R3，R4和L2在规范中有定义，包括这些化合物的组合物，以及使用这些化合物和组合物治疗疾病和病症的方法。