2-methylthian-4-one | 38486-20-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 2-methylthian-4-one
• 英文别名: 4H-2,3,5,6-tetrahydro-2-methylthiopyran-4-one；4H-Thiopyran-4-one, tetrahydro-2-methyl-
• CAS: 38486-20-3
• 化学式: C₆H₁₀OS
• 分子量: 130.211
• InChiKey: GAIBIKWROUJKND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methylthian-4-one 在 正丁基锂 、 羟胺 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases

  摘要：

  A series of 3- and 5-imino analogs from oxazepane, thiazepane, and diazepane was prepared and evaluated as inhibitors of human nitric oxide synthesis (NOS). The most potent iNOS inhibitor was the thiazepane analog 25 (IC50 = 0.19 muM). (C) 2004 Elsevier Ltd. All rielits reserved.

  DOI：

  10.1016/j.bmcl.2004.09.019
• 作为产物：
  描述：

  1,4-dioxa-7-methyl-8-thiaspiro[4,5]decane 在 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-methylthian-4-one
  参考文献：
  名称：

  Amino-2-hydroxypropyloximinoheterocycle .alpha.-blockers

  摘要：

  某些氨基-2-羟基丙氧基亚胺杂环化合物是β-肾上腺素受体拮抗剂，可用于治疗高眼压、高血压、心绞痛和心律失常。

  公开号：

  US04803286A1

文献信息

• [EN] PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS PYRAZOLE CARBOXAMIDES, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014023258A1

  公开（公告）日：2014-02-13

  Provided herein are compounds of formula (AA): N N H HN O N N R R 6 A (R a ) p, (AA) stereoisomers or a pharmaceutically acceptable salt thereof, wherein A, R a, p, R and R 6 are defined herein, compositions including the compounds and methods of manufacturing and using the compounds for the treatment of diseases.

  本文提供了以下式（AA）的化合物：N N H HN O N N R R 6 A（R a）p，（AA）立体异构体或其药学上可接受的盐，其中A、R a、p、R和R 6在此处有定义，包括这些化合物的组合物以及用于治疗疾病的制备和使用这些化合物的方法。
• Hexahydro-5-imino-1,4-1,4-thiazepine derivatives as inhibitors of nitric oxide synthases
  申请人：Merck & Co., Inc.

  公开号：US06372733B1

  公开（公告）日：2002-04-16

  Disclosed herein are compounds of Formula I and pharmaceutically acceptable salts thereof which have been found useful in the treatment of nitric oxide synthase mediated diseases and disorders, including neurodegenerative disorders, disorders of gastrointestinal motility and inflammation. These diseases and disorders include hypotension, septic shock, toxic shock syndrome, hemodialysis, IL-2 therapy such as in in cancer patients, cachexia, immunosuppression such as in transplant therapy, autoimmune and/or inflammatory indications including sunburn, eczema or psoriasis and respiratory conditions such as bronchitis, asthma, oxidant-induced lung injury and acute respiratory distress (ARDS), glomerulonephritis, restenosis, inflammatory sequelae of viral infections, myocarditis, heart failure, atherosclerosis, osteoarthritis, rheumatoid arthritis, septic arthritis, chronic or inflammatory bowel disease, ulcerative colitis, Crohn's disease, systemic lupus erythematosis (SLE), ocular conditions such as ocular hypertension, retinitis and uveitis, type 1 diabetes, insulin-dependent diabetes mellitus and cystic fibrosis.

  本文披露了Formula I的化合物及其在治疗一氧化氮合酶介导的疾病和紊乱方面发现的有用性，包括神经退行性疾病、胃肠道运动障碍和炎症。这些疾病和紊乱包括低血压、脓毒性休克、毒性休克综合征、血液透析、IL-2疗法（如癌症患者）、虚弱、免疫抑制（如移植疗法）、自身免疫和/或炎症性疾病，包括晒伤、湿疹或牛皮癣以及呼吸道疾病，如支气管炎、哮喘、氧化剂诱导的肺损伤和急性呼吸窘迫综合征（ARDS）、肾小球肾炎、再狭窄、病毒感染的炎症后遗症、心肌炎、心力衰竭、动脉粥样硬化、骨关节炎、类风湿性关节炎、脓毒性关节炎、慢性或炎症性肠病、溃疡性结肠炎、克罗恩病、系统性红斑狼疮（SLE）、眼部疾病，如眼压增高、视网膜炎和葡萄膜炎、1型糖尿病、胰岛素依赖性糖尿病和囊性纤维化等。
• PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20150158851A1

  公开（公告）日：2015-06-11

  Provided herein are compounds of formula (AA): stereoisomers or a pharmaceutically acceptable salt thereof, wherein A, R a , p, R 5 and R 6 are defined herein, compositions including the compounds and methods of manufacturing and using the compounds for the treatment of diseases.

  本文提供了式（AA）的化合物：其立体异构体或其药学上可接受的盐，其中A、Ra、p、R5和R6在此定义，包括该化合物的组合物以及制造和使用该化合物治疗疾病的方法。
• Amino-2-hydroxypropyloximino-heterocycle beta blockers
  申请人：Merck & Co., Inc.

  公开号：EP0304222A2

  公开（公告）日：1989-02-22

  Certain amino-2-hydroxypropyloximinohetero­cycles are β-adrenoceptor antagonists useful in the treatment of elevated intraocular pressure, hypertension, angina and arrhythmia.

  某些氨基-2-羟丙基亚胺杂环化合物是β-肾上腺素受体拮抗剂，可用于治疗眼压升高、高血压、心绞痛和心律失常。
• Methods for the preparation of 1,3-benzodioxole heterocyclic compounds
  申请人：UNION therapeutics A/S

  公开号：US11370799B2

  公开（公告）日：2022-06-28

  The present invention relates to novel methods for the preparation of 1,3-benzo-dioxole heterocyclic compounds and intermediates for the same. The compounds are useful as PDE4 inhibitors.

  本发明涉及制备 1,3-苯并-二恶茂杂环化合物及其中间体的新方法。这些化合物可用作 PDE4 抑制剂。