8-噁双环[3.2.1]辛烷-3-羧酸 | 856176-37-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 8-噁双环[3.2.1]辛烷-3-羧酸
• 中文别名: 8-氧杂双环[3.2.1]辛烷-3-羧酸
• 英文名称: 8-oxabicyclo[3.2.1]octane-3-carboxylic acid
• 英文别名: 8-oxa-bicyclo[3.2.1]octane-3-carboxylic acid；8-Oxa-bicyclo[3.2.1]octan-3-carbonsaeure
• CAS: 856176-37-9
• 化学式: C₈H₁₂O₃
• 分子量: 156.181
• InChiKey: PQTLQJVGJFXEET-UHFFFAOYSA-N

物化性质

• 沸点：
  303.0±35.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  8-噁双环[3.2.1]辛烷-3-羧酸 在 盐酸 、 叠氮磷酸二苯酯 、 N,N-二异丙基乙胺 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 6.0h， 生成 8-氧杂双环[3.2.1]辛烷-3-胺盐酸盐
  参考文献：
  名称：

  [EN] BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS
  [FR] COMPOSÉS BENZOLACTAMES UTILISÉS EN TANT QU'INHIBITEURS DE PROTÉINE KINASE

  摘要：

  该发明提供了一个化合物，其化学式为(0)：或其药学上可接受的盐、N-氧化物或互变异构体。这些化合物是ERK 1/2激酶的抑制剂，并将在治疗ERKl/2介导的疾病中发挥作用。因此，这些化合物在治疗中特别是在癌症治疗中是有用的。

  公开号：

  WO2017068412A1
• 作为产物：
  描述：

  ((2R,5S)-tetrahydrofuran-2,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate) 在 四氢呋喃 、 sodium hydroxide 作用下， 生成 8-噁双环[3.2.1]辛烷-3-羧酸
  参考文献：
  名称：

  Bicyclic Carboxylic Acid Derivatives from cis-2,5-Bis-(hydroxymethyl)-tetrahydrofuran

  摘要：

  DOI：

  10.1021/ja01582a042

文献信息

• 1,2,4-Triazolyl 5-Azaspiro[2.4]heptanes: Lead Identification and Early Lead Optimization of a New Series of Potent and Selective Dopamine D3 Receptor Antagonists
  作者：Fabrizio Micheli、Alessia Bacchi、Simone Braggio、Laura Castelletti、Palmina Cavallini、Paolo Cavanni、Susanna Cremonesi、Michele Dal Cin、Aldo Feriani、Sylvie Gehanne、Mahmud Kajbaf、Luciano Marchió、Selena Nola、Beatrice Oliosi、Annalisa Pellacani、Elisabetta Perdonà、Anna Sava、Teresa Semeraro、Luca Tarsi、Silvia Tomelleri、Andrea Wong、Filippo Visentini、Laura Zonzini、Christian Heidbreder

  DOI：10.1021/acs.jmedchem.6b00972

  日期：2016.9.22

  A novel series of 1,2,4-triazolyl 5-azaspiro[2.4]heptanes with high affinity and selectivity at the dopamine (DA) D3 receptor (D3R) is described. Some of these compounds also have high selectivity over the hERG channel and were characterized with respect to their pharmacokinetic properties both in vitro and in vivo during lead identification and early lead optimization phases. A few derivatives with

  描述了一个新的1,2,4-三唑基5-氮杂螺[2.4]庚烷系列，对多巴胺（DA）D3受体（D3R）具有高亲和力和选择性。这些化合物中的一些在hERG通道上也具有很高的选择性，并且在铅鉴定和早期铅优化阶段的体内和体外药代动力学特性方面进行了表征。选择了一些具有总体良好的可开发性特征的衍生物用于进一步的后期铅优化研究。
• Inhibitors of Histone Deacetylase
  申请人：The Broad Institute, Inc.

  公开号：US20140080800A1

  公开（公告）日：2014-03-20

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt, hydrate, solvate, or prodrug thereof, wherein U, J, V, X, R 2a , R 2b , R 2c , R 5 and t are as described herein. The present invention relates generally to inhibitors of histone deacetylase and to methods of making and using them. These compounds are useful for promoting cognitive function and enhancing learning and memory formation. In addition, these compounds are useful for treating, alleviating, and/or preventing various conditions, including for example, neurological disorders, memory and cognitive function disorders/impairments, extinction learning disorders, fungal diseases and infections, inflammatory diseases, hematological diseases, and neoplastic diseases in humans and animals.

  本发明涉及式（I）的化合物：或其药学上可接受的盐、水合物、溶剂合物或前药，其中U、J、V、X、R2a、R2b、R2c、R5和t如本文所述。本发明通常涉及组织脱乙酰化酶抑制剂及其制备和使用方法。这些化合物有助于促进认知功能和增强学习和记忆形成。此外，这些化合物对于治疗、缓解和/或预防各种疾病有用，包括但不限于神经系统疾病、记忆和认知功能障碍、消退学习障碍、真菌病和感染、炎症性疾病、血液病和动物的肿瘤疾病。
• INHIBITORS OF HISTONE DEACETYLASE
  申请人：The Broad Institute, Inc.

  公开号：US20160251351A1

  公开（公告）日：2016-09-01

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt, hydrate, solvate, or prodrug thereof, wherein U, J, V, X, R 1a , R 2b , R 2c , R 5 and t are as described herein. The present invention relates generally to inhibitors of histone deacetylase and to methods of making and using them. These compounds are useful for promoting cognitive function and enhancing learning and memory formation. In addition, these compounds are useful for treating, alleviating, and/or preventing various conditions, including for example, neurological disorders, memory and cognitive function disorders/impairments, extinction learning disorders, fungal diseases and infections, inflammatory diseases, hematological diseases, and neoplastic diseases in humans and animals.

  本发明涉及化合物式(I)或其药学上可接受的盐、水合物、溶剂合物或前药，其中U、J、V、X、R1a、R2b、R2c、R5和t如本文所述。本发明通常涉及组织脱乙酰化酶抑制剂及其制备和使用方法。这些化合物有助于促进认知功能，增强学习和记忆形成。此外，这些化合物在治疗、缓解和/或预防各种疾病方面也很有用，包括例如神经系统疾病、记忆和认知功能障碍、消退学习障碍、真菌疾病和感染、炎症性疾病、血液疾病和动物的肿瘤性疾病。
• Benzolactam compounds as protein kinase inhibitors
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US10457669B2

  公开（公告）日：2019-10-29

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof; wherein: n is 1 or 2; X is CH or N; Y is selected from CH and C—F; Z is selected from C—Rz and N; R1 is selected from: -(Alk1)t-Cyc1; wherein t is 0 or 1; Optionally substituted C1-6 acyclic hydrocarbon groups R2 is selected from hydrogen; halogen; and C1-3 hydrocarbon groups optionally substituted with one or more fluorine atoms; R3 is hydrogen or a group L1-R7; R4 is selected from hydrogen; methoxy; and optionally substituted C1-3 alkyl; and R4a is selected from hydrogen and a C1-3 alkyl group; wherein Rz, Alk1, Cyc1, L1 and R7 are defined herein; provided that the compound is other than 6-benzyl-3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and 3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and salts and tautomers thereof. The compounds are inhibitors of ERK1/2 kinases and will be useful in the treatment of ERK1/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.

  本发明提供了一种式 (0) 的化合物： 或其药学上可接受的盐、N-氧化物或同系物；其中 n 是 1 或 2 X 是 CH 或 N Y 选自 CH 和 C-F Z 选自 C-Rz 和 N； R1 选自 -(Alk1)t-Cyc1；其中 t 为 0 或 1； 任选取代的 C1-6 无环烃基团 R2 选自氢、卤素和任选被一个或多个氟原子取代的 C1-3 烃基； R3 是氢或基团 L1-R7； R4 选自氢、甲氧基和任选被取代的 C1-3 烷基；以及 R4a 选自氢和 C1-3 烷基； 其中 Rz、Alk1、Cyc1、L1 和 R7 在本文中定义； 只要该化合物不是 6-苄基-3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮和 3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮及其盐和它们的同系物。 这些化合物是 ERK1/2 激酶的抑制剂，可用于治疗 ERK1/2 介导的疾病。因此，这些化合物可用于治疗，特别是治疗癌症。
• Inhibitors of histone deacetylase
  申请人：The Broad Institute, Inc.

  公开号：US10662199B2

  公开（公告）日：2020-05-26

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt, hydrate, solvate, or prodrug thereof, wherein U, J, V, X, R2a, R2b, R2c, R5 and t are as described herein. The present invention relates generally to inhibitors of histone deacetylase and to methods of making and using them. These compounds are useful for promoting cognitive function and enhancing learning and memory formation. In addition, these compounds are useful for treating, alleviating, and/or preventing various conditions, including for example, neurological disorders, memory and cognitive function disorders/impairments, extinction learning disorders, fungal diseases and infections, inflammatory diseases, hematological diseases, and neoplastic diseases in humans and animals.

  本发明涉及式（I）化合物： 或其药学上可接受的盐、水合物、溶液或原药，其中 U、J、V、X、R2a、R2b、R2c、R5 和 t 如本文所述。本发明一般涉及组蛋白去乙酰化酶抑制剂及其制造和使用方法。这些化合物有助于促进认知功能，增强学习和记忆的形成。此外，这些化合物还可用于治疗、减轻和/或预防各种病症，包括例如人类和动物的神经系统疾病、记忆和认知功能障碍/损伤、绝迹学习障碍、真菌疾病和感染、炎症性疾病、血液病和肿瘤性疾病。