1-chlorocarbonyloctahydroquinoline | 1257992-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉类
• 英文名称: 1-chlorocarbonyloctahydroquinoline
• 英文别名: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl chloride
• CAS: 1257992-23-6
• 化学式: C₁₀H₁₆ClNO
• 分子量: 201.696
• InChiKey: HYRPDMOJNQURHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  313.3±9.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-chlorocarbonyloctahydroquinoline 、 3-氨基丙酸甲酯盐酸盐 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 3-[(octahydroquinoline-1-carbonyl)amino]propionic acid methyl ester
  参考文献：
  名称：

  INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1

  摘要：

  公式（I）的化合物是从过氢化喹啉和过氢化异喹啉衍生而来的，可用作预防或治疗由11-β-羟基类固醇脱氢酶I（11-β-HSD1）酶相关疾病引起的活性药用成分，如青光眼、眼压升高、代谢紊乱、肥胖、代谢综合征、脂质代谢异常、高血压、糖尿病、动脉粥样硬化、库欣综合征、银屑病、类风湿性关节炎、认知障碍、阿尔茨海默病或神经退行性疾病。

  公开号：

  US20120071466A1
• 作为产物：
  描述：

  三光气 、 十氢喹啉 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 1-chlorocarbonyloctahydroquinoline
  参考文献：
  名称：

  INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1

  摘要：

  公式（I）的化合物是从过氢化喹啉和过氢化异喹啉衍生而来的，可用作预防或治疗由11-β-羟基类固醇脱氢酶I（11-β-HSD1）酶相关疾病引起的活性药用成分，如青光眼、眼压升高、代谢紊乱、肥胖、代谢综合征、脂质代谢异常、高血压、糖尿病、动脉粥样硬化、库欣综合征、银屑病、类风湿性关节炎、认知障碍、阿尔茨海默病或神经退行性疾病。

  公开号：

  US20120071466A1

文献信息

• Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1
  申请人：Catena Ruiz Juan Lorenzo

  公开号：US08822452B2

  公开（公告）日：2014-09-02

  The compounds of formula (I) are derived from perhydroquinoline and perhydroisoquinoline and are useful as active pharmaceutical ingredients for the prophylaxis or treatment of diseases caused by 11-beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1) enzyme-associated disorders, such as glaucoma, elevated ocular pressure, metabolic disorders, obesity, metabolic syndrome, dyslipidemia, hypertension, diabetes, atherosclerosis, Cushing's syndrome, psoriasis, rheumatoid arthritis, cognitive disorders, Alzheimer's disease or neurodegeneration.

  式(I)的化合物是由过氢化喹啉和过氢化异喹啉衍生而来的，可用作活性药物成分，用于预防或治疗由11-β-羟基类固醇脱氢酶类型1 (11-β-HSD1)酶相关疾病引起的疾病，例如青光眼，眼压升高，代谢性疾病，肥胖症，代谢综合征，血脂异常，高血压，糖尿病，动脉粥样硬化，库欣综合症，银屑病，类风湿性关节炎，认知障碍，阿尔茨海默病或神经退行性疾病。
• Tetrazolinone herbicides
  申请人：NIHON BAYER AGROCHEM K.K.

  公开号：EP0695748A1

  公开（公告）日：1996-02-07

  Novel tetrazolinone derivatives of the formula:    wherein    R¹ represents alkyl, haloalkyl, cycloalkyl, alkenyl, haloalkenyl, alkynyl, alkoxy or phenyl which may be substituted,    R² represents alkyl, haloalkyl, cycloalkyl, alkenyl, haloalkenyl, alkynyl, alkoxy or phenyl which may be substituted,    R¹ and R² may form, together with the nitrogen atom to which R¹ and R² are bonded, a 5- or 6-membered heterocyclic ring, and said heterocyclic ring, may be fused with carbocyclic ring and/or may be substituted by C₁₋₄ alkyl, and    R³ represents 5-membered heterocyclic ring comprising hetero atom optionally selected from the group consisting of nitrogen atom, oxygen atom and sulfur atom as well as carbon atom, and said 5-membered heterocyclic ring may be optionally substituted by substituent (s) selected from the group consisting of halogen, benzyl, phenyl, halogen-substituted phenyl, C₁₋₄ alkyl, C₁₋₄ alkoxy, C₁₋₄ haloalkyl, C₁₋₄ haloalkoxy, C₁₋₄ alkylthio, C₁₋₄ alkyl-sulfonyl and C₃₋₈ cycloalkyl, processes for their preparation and their use as herbicides.

  式中的新型四唑啉酮衍生物： 其中 R¹ 代表可能被取代的烷基、卤代烷基、环烷基、烯基、卤代烯基、炔基、烷氧基或苯基、 R² 代表可被取代的烷基、卤代烷基、环烷基、烯基、卤代烯基、炔基、烷氧基或苯基、 R¹ 和 R² 可与 R¹ 和 R² 键合的氮原子一起形成 5 或 6 元杂环，且所述杂环可与碳环融合和/或可被 C₁₋₄ 烷基取代，以及 R³ 代表 5 元杂环，包含可选自氮原子、氧原子、硫原子和碳原子组成的组中的杂原子，且所述 5 元杂环可被可选自卤素组成的组中的取代基取代、苄基、苯基、卤素取代的苯基、C₁₋₄ 烷基、C₁₋₄ 烷氧基、C₁₋₄ 卤代烷基、C₁₋₄ 卤代烷氧基、C₁₋₄ 烷硫基、C₁₋₄ 烷磺酰基和 C₃₋₈ 环烷基、 它们的制备工艺及其作为除草剂的用途。
• Discovery and Structure–Activity Relationship of Potent and Selective Covalent Inhibitors of Transglutaminase 2 for Huntington’s Disease
  作者：Michael E. Prime、Ole A. Andersen、John J. Barker、Mark A. Brooks、Robert K. Y. Cheng、Ian Toogood-Johnson、Stephen M. Courtney、Frederick A. Brookfield、Christopher J. Yarnold、Richard W. Marston、Peter D. Johnson、Siw F. Johnsen、Jordan J. Palfrey、Darshan Vaidya、Sayeh Erfan、Osamu Ichihara、Brunella Felicetti、Shilpa Palan、Anna Pedret-Dunn、Sabine Schaertl、Ina Sternberger、Andreas Ebneth、Andreas Scheel、Dirk Winkler、Leticia Toledo-Sherman、Maria Beconi、Douglas Macdonald、Ignacio Muñoz-Sanjuan、Celia Dominguez、John Wityak

  DOI：10.1021/jm201310y

  日期：2012.2.9

  Tissue transglutaminase 2 (TG2) is a multifunctional protein primarily known for its calcium-dependent enzymatic protein cross-linking activity via isopeptide bond formation between glutamine and lysine residues. TG2 overexpression and activity have been found to be associated with Huntington's disease (HD); specifically, TG2 is up-regulated in the brains of HD patients and in animal models of the disease. Interestingly, genetic deletion of TG2 in two different HD mouse models, R6/1 and R6/2, results in improved phenotypes including a reduction in neuronal death and prolonged survival. Starting with phenylacrylamide screening hit 7d, we describe the SAR of this series leading to potent and selective TG2 inhibitors. The suitability of the compounds as in vitro tools to elucidate the biology of TG2 was demonstrated through mode of inhibition studies, characterization of druglike properties, and inhibition profiles in a cell lysate assay.
• US5559111A
  申请人：——

  公开号：US5559111A

  公开（公告）日：1996-09-24
• US5589439A
  申请人：——

  公开号：US5589439A

  公开（公告）日：1996-12-31