2-Ethyl-4H-benzo[1,4]thiazin-3-one | 83715-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-Ethyl-4H-benzo[1,4]thiazin-3-one
• 英文别名: 2-ethyl-4H-1,4-benzothiazin-3-one
• CAS: 83715-97-3
• 化学式: C₁₀H₁₁NOS
• 分子量: 193.27
• InChiKey: LOQBNBMYVUDPHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Ethyl-4H-benzo[1,4]thiazin-3-one 、 溴 以88%的产率得到
  参考文献：
  名称：

  BATES, R. B.;DUGUAY, L. M.;KLENCK, R. E.;KRIEK, G. R.;TEMPESTA, M. S.;BRE+, J. HETEROCYCL. CHEM., 1982, 19, N 4, 927-928

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴丁酸甲酯 、 2-氨基苯硫醇 生成 2-Ethyl-4H-benzo[1,4]thiazin-3-one
  参考文献：
  名称：

  TAWADA, HIROYUKI;SUGIYAMA, YASUO;IKEDA, HITOSHI;YAMAMOTO, YUJIRO;MEGURO, +, CHEM. AND PHARM. BULL., 38,(1990) N, C. 1238-1245

  摘要：

  DOI：

文献信息

• PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  申请人：Bergmann John E.

  公开号：US20110021509A1

  公开（公告）日：2011-01-27

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. The compounds have the general structure: wherein m, n, p, x, R, R 1 , R 2 , R 3 , R 4 , R 5 , A and B, are defined herein, including pharmaceutically acceptable salts, stereoisomers, solvates or prodrugs thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.

  本发明披露了抑制PDE10的化合物，可用于治疗多种疾病，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏麻痹、脑瘫、睡眠障碍、疼痛、抽动症、精神分裂症、妄想症、药物诱导的精神病、惊恐障碍和强迫症。这些化合物具有以下一般结构：其中m、n、p、x、R、R1、R2、R3、R4、R5、A和B在本文中有定义，包括药学上可接受的盐、立体异构体、溶剂化物或其前药。本发明还披露了含有本发明化合物与药学上可接受的载体组合的组合物，以及与使用本发明化合物抑制温血动物中的PDE10有关的方法。
• [DE] SUBSTITUIERTE HETEROCYCLEN UND DEREN VERWENDUNG IN ARZNEIMITTELN<br/>[EN] SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS<br/>[FR] HETEROCYCLIQUES SUBSTITUES ET LEUR UTILISATION DANS DES MEDICAMENTS
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：WO1998050372A1

  公开（公告）日：1998-11-12

  (DE) Es werden Verbindungen der Formel (I) beschrieben, deren Herstellung und Verwendung in Arzneimitteln.(EN) The invention relates to compounds of formula (I), to the production of said compounds and their use in medicaments.(FR) L'invention concerne des composés de la formule (I), leur production et leur utilisation dans des médicaments.

  （德）描述了式 (I) 的化合物，及这些化合物的制备和药用用途。（英）本发明涉及式 (I) 化合物，及其制备及其用于医药品。（法）涉及式 (I) 化合物的发明，这些化合物的制备和药用用途。
• TAWADA, HIROYUKI;SUGIYAMA, YASUO;IKEDA, HITOSHI;YAMAMOTO, YUJIRO;MEGURO, +, CHEM. AND PHARM. BULL., 38,(1990) N, C. 1238-1245
  作者：TAWADA, HIROYUKI、SUGIYAMA, YASUO、IKEDA, HITOSHI、YAMAMOTO, YUJIRO、MEGURO, +

  DOI：——

  日期：——
• SUBSTITUIERTE HETEROCYCLEN UND DEREN VERWENDUNG IN ARZNEIMITTELN
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0980362A1

  公开（公告）日：2000-02-23
• IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES
  申请人：Oettgen Peter

  公开号：US20110071142A1

  公开（公告）日：2011-03-24

  The present invention relates to methods of identifying small molecule candidate agents capable of modulating transcription factor function such that the function/expression of a target transcription factor and/or proteins downstream of this target protein comprises the screening of small molecule libraries using in silico high throughput docking for candidate small molecules/agents that are selectively identified for their ability to target and disrupt the transcription factor-DNA interface through unique transcription factor and/or DNA descriptors that are defined within a pharmacophore, and then testing/evaluating the candidate agents identified above through one or more in vitro assays for their ability to modulate transcription factor function including expression of this target protein and/or proteins that are downstream of the target transcription factor. The present invention also relates to various compounds described herein (e.g., a compound of Formula XI), their pharmaceutically acceptable salts and to methods of using said compounds as described herein.