9-methyl-3-oxa-9-aza-bicyclo[3.3.1]nonane | 27199-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 9-methyl-3-oxa-9-aza-bicyclo[3.3.1]nonane
• 英文别名: 9-Methyl-3-oxa-9-aza-bicyclo[3.3.1]nonan；9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonane
• CAS: 27199-02-6
• 化学式: C₈H₁₅NO
• 分子量: 141.213
• InChiKey: MRFQXOLYNLVLKS-UHFFFAOYSA-N

物化性质

• 熔点：
  54-55 °C (sublm)
• 沸点：
  188.6±15.0 °C(Predicted)
• 密度：
  0.988±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  dimethyl (2R,6S)-piperidine-2,6-dicarboxylate 在 lithium aluminium tetrahydride 、 甲酸 、 乙醚 、 硫酸 作用下， 生成 9-methyl-3-oxa-9-aza-bicyclo[3.3.1]nonane
  参考文献：
  名称：

  Nikitskaja et al., Zhurnal Obshchei Khimii, 1959, vol. 29, p. 124,127; engl. Ausg. S. 129, 131

  摘要：

  DOI：

文献信息

• Inhibitors of Human Immunodeficiency Virus Replication
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20130231331A1

  公开（公告）日：2013-09-05

  The disclosure generally relates to compounds of formula I, including compositions and methods for treating human immunodeficiency virus (HIV) infection. The disclosure provides novel inhibitors of HIV, pharmaceutical compositions containing such compounds, and methods for using these compounds in the treatment of HIV infection.

  该披露通常涉及到式I的化合物，包括用于治疗人类免疫缺陷病毒（HIV）感染的组合物和方法。该披露提供了HIV的新型抑制剂，包含这些化合物的药物组合物，以及使用这些化合物治疗HIV感染的方法。
• SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Schirok Hartmut

  公开号：US20110021493A1

  公开（公告）日：2011-01-27

  This invention relates to novel compounds and processes for their preparation, methods of treating diseases, particularly cancer, comprising administering said compounds, and methods of making pharmaceutical compositions for the treatment or prevention of disorders, particularly cancer.

  本发明涉及新型化合物及其制备方法，涉及使用该化合物治疗疾病的方法，特别是癌症，以及制备用于治疗或预防疾病，特别是癌症的药物组合物的方法。
• Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines
  申请人：TORQUR AG

  公开号：US11186591B2

  公开（公告）日：2021-11-30

  The invention relates to novel phosphoinositide 3-kinase (PI3K), mammalian target of rapamycin (mTOR) and PI3K-related kinase (PIKKs) inhibitor compounds of formula (I), wherein X1, X2 and X3 are N or CH, with the proviso that at least two of X1, X2 and X3 are N; Y is N or CH, These compounds are useful, either alone or in combination with further therapeutic agents, for treating disorders mediated by lipid kinases.

  本发明涉及新型磷酸肌醇 3-激酶 (PI3K)、哺乳动物雷帕霉素靶标 (mTOR) 和 PI3K 相关激酶 (PIKKs) 的式 (I) 抑制剂化合物、 其中 X1、X2 和 X3 是 N 或 CH，但条件是 X1、X2 和 X3 中至少有两个是 N；Y 是 N 或 CH，这些化合物可单独使用或与其它治疗剂结合使用，用于治疗由脂质激酶介导的疾病。
• DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES
  申请人：PIQUR THERAPEUTICS AG

  公开号：US20200277304A1

  公开（公告）日：2020-09-03

  The invention relates to novel phosphoinositide 3-kinase (PI3K), mammalian target of rapamycin (mTOR) and PI3K-related kinase (PIKKs) inhibitor compounds of formula (I), wherein X 1 , X 2 and X 3 are N or CH, with the proviso that at least two of X 1 , X 2 and X 3 are N; Y is N or CH, These compounds are useful, either alone or in combination with further therapeutic agents, for treating disorders mediated by lipid kinases.
• TREATMENT OF SKIN DISORDERS
  申请人：PIQUR THERAPEUTICS AG

  公开号：US20210107913A1

  公开（公告）日：2021-04-15

  The present invention relates to a compound of formula (I), wherein X 1 , X 2 and X 3 are, independently of each other, N or CH; with the proviso that at least two of X 1 X 2 and X 3 are N; Y is N or CH; W is H or F; with the proviso that when W is F, then Xi, X 2 and X 3 are N; R 1 and R 2 are independently of each other (i) a morpholinyl of formula (II) wherein the arrow denotes the bond in formula (I); and wherein R 3 and R 4 are independently of each other H, C 1 -C 3 alkyl optionally substituted with one or two OH, C 1 -C 2 fluoroalkyl, C 1 -C 2 alkoxy, C 1 -C 2 alkoxyC 1 -C 3 alkyl, CN, or C(O)O—C 1 -C 2 alkyl; or R 3 and R 4 form together a bivalent residue —R 5 R 6 — selected from C 1 -C 3 alkylene optionally substituted with 1 to 4 F, —CH 2 —O—CH 2 —, —CH 2 —NH—CH 2 —, or any of the structures wherein the arrows denote the bonds in formula (II); or (ii) a saturated 6-membered heterocyclic ring Z selected from thiomorpholinyl and piperazinyl, optionally substituted by 1 to 3 R 7 ; wherein R 7 is independently at each occurrence C 1 -C 3 alkyl optionally substituted with one or two OH, C 1 -C 2 fluoroalkyl, C 1 -C 2 alkoxyC 1 -C 3 alkyl, C 3 -C 6 cycloalkyl; or two R 7 substituents form together a bivalent residue —R 8 R 9 — selected from C 1 -C 3 alkylene optionally substituted with 1 to 4 F, —CH 2 —O—CH 2 — or —O—CH 2 CH 2 —O—; with the proviso that at least one of R 1 and R 2 is a morpholinyl of formula II; and prodrugs, metabolites, tautomers, solvates and pharmaceutically acceptable salts thereof, for use in a method of treating a skin disorder in a subject, wherein said skin disorder is a genodermatosis, a vascular anomaly or a skin disorder selected from scleroderma, sclerodermatous chronic graft-versus-host disease, lichen sclerosus, lichen planus, lichen ruber planus and scars.