5H-吡啶并[3,4-B] [1,4]苯并噻嗪 | 261-90-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 5H-吡啶并[3,4-B] [1,4]苯并噻嗪
• 中文别名: 5H-吡啶并[3,4-B][1,4]苯并噻嗪
• 英文名称: 10H-pyrido<3,4-b><1,4>benzothiazine
• 英文别名: 3-azaphenothiazine；5H-benzo[b]pyrido[4,3-e][1,4]thiazine；3-Aza-phenothiazin；3-Azaphenothiazin；5h-Pyrido[3,4-b][1,4]benzothiazine
• CAS: 261-90-5
• 化学式: C₁₁H₈N₂S
• 分子量: 200.264
• InChiKey: JAALLZGVBSLANN-UHFFFAOYSA-N

物化性质

• 沸点：
  402.1±14.0 °C(Predicted)
• 密度：
  1.293±0.06 g/cm3(Predicted)
• 熔点：
  246-248 °C(Solv: ethanol (64-17-5); acetone (67-64-1))

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5H-吡啶并[3,4-B] [1,4]苯并噻嗪 在 sodium tetrahydroborate 、 sodium acetate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 4.5h， 生成 1-(2-Methyl-1,2,3,4-tetrahydro-9-thia-2,10-diaza-anthracen-10-yl)-ethanone
  参考文献：
  名称：

  Pyridine and reduced pyridine analogues of 10H-pyrido[3,4-b][1,4]benzothiazines with analgesic activity

  摘要：

  DOI：

  10.1016/0223-5234(87)90028-6
• 作为产物：
  描述：

  4-苯氨基吡啶 在 碘 、 sulfur 作用下， 以 水 为溶剂， 反应 0.33h， 生成 5H-吡啶并[3,4-B] [1,4]苯并噻嗪
  参考文献：
  名称：

  Synthesis and antitubercular activity of phenothiazines with reduced binding to dopamine and serotonin receptors

  摘要：

  Analogs of the psychotropic phenothiazines were synthesized and examined as antitubercular agents against Mycobacterium tuberculosis H37Rv. The compounds were subsequently counter-screened for binding to the dopaminergic-receptor subtypes D1, D2, D3 and the serotonergic-receptor subtypes 5-HT1A, 5-HT2A, and 5-HT2C. The most active compounds showed MICs from 2 to 4 mu g/mL and had overall reduced binding to the dopamine and serotonin receptors compared to chlorpromazine and trifluoperazine. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.064

文献信息

• Carbamate caspase inhibitors and uses thereof
  申请人：——

  公开号：US20020028803A1

  公开（公告）日：2002-03-07

  This invention provides caspase inhibitors of formula I: 1 wherein Z is oxygen or sulfur; R 1 is hydrogen, —CHN 2 , R, CH 2 OR, CH 2 SR, or —CH 2 Y; Y is an electronegative leaving group; R 2 is CO 2 H, CH 2 CO 2 H, or esters, amides or isosteres thereof; R 3 is a group capable of fitting into the S2 subsite of a caspase enzyme; R 4 and R 5 are taken together with the intervening nitrogen to form heterocyclic ring and R is as described in the specification. The compounds are effective inhibitors of apoptosis and IL-1&bgr; secretion.

  这项发明提供了化学式I:1的caspase抑制剂，其中Z为氧或硫；R1为氢、—CHN2、R、CH2OR、CH2SR或—CH2Y；Y为电负离去基团；R2为CO2H、CH2CO2H或其酯、酰胺或同分异构体；R3为能够适配到caspase酶的S2位点的基团；R4和R5与介入的氮一起形成杂环，并且R如规范中所述。这些化合物是有效的凋亡和IL-1β分泌抑制剂。
• [EN] AZAPHENOTHIAZINES AND AZAPHENOXAZINES AS ANTIOXIDANTS<br/>[FR] AZAPHÉNOTHIAZINES ET AZAPHÉNOXAZINES EN TANT QU'ANTIOXYDANTS
  申请人：UNIV OTTAWA

  公开号：WO2018165760A1

  公开（公告）日：2018-09-20

  The present disclosure relates generally to antioxidants. More particularly, the present disclosure relates to lubricating compositions comprising an antioxidant.

  本公开涉及抗氧化剂。更具体地说，本公开涉及含有抗氧化剂的润滑剂组合物。
• Caspase inhibitors and uses thereof
  申请人：——

  公开号：US20030092703A1

  公开（公告）日：2003-05-15

  This invention provides compounds of formula I: 1 wherein Z is oxygen or sulfur; R 1 is hydrogen, —CHN 2 , R, CH 2 OR, CH 2 SR, or —CH 2 Y; next to R 3 represents a single or double bond; Y is an electronegative leaving group; R 2 is CO 2 H, CH 2 CO 2 H, or esters, amides or isosteres thereof; R 3 is a group capable of fitting into the S2 subsite of a caspase enzyme; R 4 is a hydrogen or C 1-6 alkyl or R 3 and R 4 taken together form a ring; Ring A and Ring B are each heterocyclic rings, and R and R 5 are as described in the specification. The compounds are effective inhibitors of apoptosis and IL-1&bgr; secretion.

  这项发明提供了化合物I的公式：其中Z为氧或硫；R1为氢，—CHN2，R，CH2OR，CH2SR或—CH2Y；R3旁表示单键或双键；Y为一个电负离开基团；R2为CO2H，CH2CO2H或其酯、酰胺或同分异构体；R3为能够适应caspase酶的S2亚位点的基团；R4为氢或C1-6烷基或R3和R4一起形成一个环；环A和环B分别为杂环，R和R5如规范中所述。这些化合物是有效的凋亡和IL-1β分泌抑制剂。
• CASPASE INHIBITORS AND USES THEREOF
  申请人：Mortimore Michael

  公开号：US20080015172A1

  公开（公告）日：2008-01-17

  This invention provides caspase inhibitors of formula I: wherein Z is oxygen or sulfur; R 1 is hydrogen, —CHN 2 , R, CH 2 OR, CH 2 SR, or —CH 2 Y; between R 3 and R 4 represents a single or double bond; Y is an electronegative leaving group; R 2 is CO 2 H, CH 2 CO 2 H, or esters, amides or isosteres thereof; R 3 is a group capable of fitting into the S2 subsite of a caspase enzyme; R 4 is a hydrogen or C 1-6 alkyl or R 3 and R 4 taken together form a ring; Ring A and Ring B are each heterocyclic rings, and R and R 5 are as described in the specification. The compounds are effective inhibitors of apoptosis and IL-1β secretion.

  本发明提供了式I的caspase抑制剂：其中Z为氧或硫；R1为氢，—CHN2，R，CH2OR，CH2SR或—CH2Y；R3和R4之间表示单键或双键；Y为电负性离去基团；R2为CO2H，CH2CO2H或其酯，酰胺或异构体；R3是能够适配到caspase酶的S2亚位点的基团；R4为氢或C1-6烷基或R3和R4共同形成环；环A和环B各自为杂环环，R和R5如规范中所述。这些化合物是有效的凋亡和IL-1β分泌抑制剂。
• 3-Azaphenothiazine and Dialkylaminoalkyl Derivatives
  作者：FRANK H. CLARKE、GLADYS B. SILVERMAN、CLARA M. WATNICK、NATHAN SPERBER

  DOI：10.1021/jo01063a037

  日期：1961.4