4-methyl-1-thia-4-azacycloheptane | 76429-53-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-methyl-1-thia-4-azacycloheptane
• 英文别名: 4-Methyl-1,4-thiazepane
• CAS: 76429-53-3
• 化学式: C₆H₁₃NS
• 分子量: 131.242
• InChiKey: HLJUFNYRJKZMMM-UHFFFAOYSA-N

物化性质

• 沸点：
  184.0±33.0 °C(Predicted)
• 密度：
  0.974±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  28.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methyl-1-thia-4-azacycloheptane 在 水 、 碘 、 potassium iodide 作用下， 生成 4-methyl-1-thia-4-azacycloheptane 1-oxide
  参考文献：
  名称：

  Neighboring-group participation in organic redox reactions: effect of tertiary amine and pyridine groups on the kinetics and mechanism of thioether-sulfoxide interconversions

  摘要：

  DOI：

  10.1021/jo00320a002
• 作为产物：
  描述：

  四氢-(2H)-1,4-硫氮杂革-5-酮 在 甲酸 、 dimethyl sulfide borane 作用下， 以 乙醚 为溶剂， 反应 39.0h， 生成 4-methyl-1-thia-4-azacycloheptane
  参考文献：
  名称：

  Neighboring-group participation in organic redox reactions: effect of tertiary amine and pyridine groups on the kinetics and mechanism of thioether-sulfoxide interconversions

  摘要：

  DOI：

  10.1021/jo00320a002

文献信息

• AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS
  申请人：Novira Therapeutics, Inc.

  公开号：US20150197493A1

  公开（公告）日：2015-07-16

  Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了一些用于治疗HBV感染的化合物，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• [EN] HETEROCYCLYL AMINOIMIDAZOPYRIDAZINES<br/>[FR] HÉTÉROCYCLYLAMINOIMIDAZOPYRIDAZINES
  申请人：BAYER IP GMBH

  公开号：WO2012175591A1

  公开（公告）日：2012-12-27

  The present invention relates to heterocyclyl aminoimidazopyridazine compounds of general formula (I) : in which A, R1, R2, R3 and R4 are as defined in the claims, to methods of preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper- proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式(I)的杂环氨基咪唑吡啶化合物，其中A、R1、R2、R3和R4如权利要求中所定义，涉及制备所述化合物的方法，包括所述化合物的药物组合物和配方，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一活性成分或与其他活性成分组合使用，治疗或预防过度增殖和/或血管生成障碍的疾病。
• [EN] AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS<br/>[FR] COMPOSÉS AMIDO-THIOPHÈNE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE 11-BÊTA-HSD1
  申请人：UNIV EDINBURGH

  公开号：WO2009074789A1

  公开（公告）日：2009-06-18

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain amido-thiophene compounds that, inter alia, inhibit 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 11β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc. Formula (I).

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及某些酰胺噻吩化合物，其中包括抑制11β-羟基类固醇脱氢酶1（11β-HSD1）。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体外和体内抑制11β-羟基类固醇脱氢酶1；治疗通过抑制11β-羟基类固醇脱氢酶1而得到改善的疾病；治疗代谢综合征，其中包括2型糖尿病和肥胖等疾病，以及相关疾病，包括胰岛素抵抗、高血压、脂质紊乱和心血管疾病，如缺血性（冠状）心脏病；治疗中枢神经系统疾病，如轻度认知障碍和早期痴呆，包括阿尔茨海默病等。公式（I）。
• SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS
  申请人：MESSINGER Josef

  公开号：US20080255075A1

  公开（公告）日：2008-10-16

  Substituted estratriene compounds of formula (I) useful in therapy, especially in the treatment or inhibition of a steroid hormone dependent disorder requiring the inhibition of a 17β-hydroxysteroid dehydrogenase (17β-HSD) type 1, type 2 and/or type 3 enzyme, as well as their salts, pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公式（I）中的替代雌三烯化合物在治疗中很有用，特别是在治疗或抑制需要抑制17β-羟基类固醇脱氢酶（17β-HSD）类型1、类型2和/或类型3酶的类固醇激素依赖性疾病方面，以及它们的盐、含有这种化合物的药物组合物和制备这种化合物的方法。
• Therapeutically Active Triazoles and Their Use
  申请人：Messinger Josef

  公开号：US20080146531A1

  公开（公告）日：2008-06-19

  Estratrien-triazoles corresponding to formula (I) (shown below) which are useful in therapy, especially for the treatment and/or prevention or inhibition of a steroid hormone dependent disorder, preferably a steroid hormone dependent disease or disorder requiring the inhibition of a 17β-hydroxysteroid dehydrogenase (17β-HSD) such as 17β-HSD type 1, type 2 or type 3 enzyme.

  Estratrien-triazoles对应于以下公式（I），在治疗中非常有用，特别是用于治疗和/或预防或抑制类固醇激素依赖性疾病，最好是需要抑制17β-羟基类固醇脱氢酶（17β-HSD）的类固醇激素依赖性疾病或疾病，如17β-HSD类型1、类型2或类型3酶。