二噻唑-2-基甲酮 | 55707-55-6

• 物质功能分类: 香精与香料 - 合成香料 - 内酯和含氧杂环化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 二噻唑-2-基甲酮
• 中文别名: 二(2-噻唑基)甲酮
• 英文名称: di(1,3-thiazol-2-yl) ketone
• 英文别名: di(thiazol-2-yl)ketone；bis-thiazol-2-yl-methanone；bis(2-thiazolyl)ketone；Di(2-thiazolyl)methanone；bis(1,3-thiazol-2-yl)methanone
• CAS: 55707-55-6
• 化学式: C₇H₄N₂OS₂
• 分子量: 196.254
• InChiKey: JNWGVJCGMNPJHV-UHFFFAOYSA-N

物化性质

• 熔点：
  140-141 °C (decomp)
• 沸点：
  364.8±25.0 °C(Predicted)
• 密度：
  1.476±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H320,H335

反应信息

• 作为反应物：
  描述：

  二噻唑-2-基甲酮 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 乙醚 、 硝基甲烷 为溶剂， 反应 4.0h， 生成 6,11-ethano-12,12-di(2'-thiazolyl)-6,11-dihydrobenzoquinolizinium perchlorate
  参考文献：
  名称：

  Discovery of 6,11-Ethano-12,12-diaryl-6,11-dihydrobenzo[b]quinolizinium Cations, a Novel Class of N-Methyl-D-aspartate Antagonists

  摘要：

  6,11-Ethano-12,12-diaryl-6,11-dihydrobenzo[b]quinolizinium cations 8, a novel class of N-methyl-D-aspartate (NMDA) antagonists acting at the phencyclidine site, have been identified. Structure-activity relationship studies around the lead compound 8a led to the identification of 12g (WIN 67870-2), one of the most potent compounds in this series. Compound 12g has a K-i = 1.8 +/- 0.2 nM vs [H-3]TCP binding, has 700-fold selectivity for binding to the open state of the NMDA receptor-ionophore, and was devoid of MK-801- and PCP-like behavioral effects in rats. Compound 12g was neuroprotective in cultured mouse cortical neurons and exhibited antiischemic activity in a rat middle cerebral artery occlusion/reperfusion model of focal ischemia.

  DOI：

  10.1021/jm00001a006
• 作为产物：
  描述：

  N-aniline 在 盐酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 甲醇 为溶剂， 生成 二噻唑-2-基甲酮
  参考文献：
  名称：

  Efficient preparation of ketones from N-(ethoxymethylene)aniline and organometallic reagents

  摘要：

  DOI：

  10.1021/jo00287a028

文献信息

• [EN] DESACETOXYTUBULYSIN H AND ANALOGS THEREOF<br/>[FR] DÉSACÉTOXYTUBULYSINE H ET SES ANALOGUES
  申请人：UNIV RICE WILLIAM M

  公开号：WO2016138288A1

  公开（公告）日：2016-09-01

  In one aspect, the present disclosure provides tubulysin analogs of the formula (I) wherein R1, R2, R3, R4, X1, X2, X3, and A1 are as defined herein. In another aspect, the present disclosure also provides methods of preparing the compounds disclosed herein. In another aspect, the present disclosure also provides pharmaceutical compositions and methods of use of the compounds disclosed herein.

  在一个方面，本公开提供了公式（I）的tubulysin类似物，其中R1、R2、R3、R4、X1、X2、X3和A1如本文所定义。在另一个方面，本公开还提供了制备本公开化合物的方法。在另一个方面，本公开还提供了药物组合物和使用本公开化合物的方法。
• 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE
  申请人：Brown Robert

  公开号：US20090247579A1

  公开（公告）日：2009-10-01

  The present invention pertains to certain 2-[3H-thiazol-2-ylidinemethyl]pyridine compounds and analogs thereof, which, inter alia, inhibit cell proliferation, treat cancer, etc., and more specifically to compounds of the following formula, wherein R A1 , R A2 , R A3 , R A4 , R B1 , R B2 , R NA , R NB , and X − are as defined herein: 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 cell proliferation, and in the treatment of proliferative conditions such as cancer, etc.

  本发明涉及某些2-[3H-噻唑-2-基亚甲基]吡啶化合物及其类似物，其中包括抑制细胞增殖、治疗癌症等作用，更具体地涉及以下式的化合物，其中R A1 、R A2 、R A3 、R A4 、R B1 、R B2 、R NA 、R NB 和X − 如本文所定义： 本发明还涉及包含这种化合物的药物组合物，以及在体外和体内使用这种化合物和组合物来抑制细胞增殖，并用于治疗癌症等增生性疾病。
• Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents
  申请人：Ackermann Jean

  公开号：US20050004187A1

  公开（公告）日：2005-01-06

  This invention relates to compounds of the formula wherein one of R 6 , R 7 or R 8 is and all enantiomers and pharmaceutically acceptable salts and/or esters thereof as well as pharmaceutical compositions containing such compounds, to a process for their preparation and to their use for the treatment and/or prevention of diseases which are modulated by PPARδ and/or PPARα agonists.

  这项发明涉及以下式的化合物 其中R 6 、R 7 或R 8 中的一个是 以及所有的对映体和药学上可接受的盐和/或酯，以及含有这种化合物的药物组合物，以及它们的制备方法和它们用于治疗和/或预防由PPARδ和/或PPARα激动剂调节的疾病。
• Aniline derivatives, their manufacture and use as pharmaceuticals
  申请人：——

  公开号：US20040248951A1

  公开（公告）日：2004-12-09

  This invention relates to compounds of the formula 1 wherein X is N and Y is S or O; or X is S or O and Y is N; R 1 is hydrogen or C 1-7 -alkyl; R 2 and R 3 independently from each other are selected from the group consisting of hydrogen, C 1-7 -alkyl and C 1-7 -alkoxy; R 4 , R 5 , R 6 , and R 7 independently from each other are selected from the group consisting of hydrogen, C 1-7 -alkyl, C 3-7 -cycloalkyl, halogen, C 1-7 -alkoxy, C 1-7 -alkyl-C 1-7 -alkoxy-C 1-7 -alkyl, C 2-7 -alkenyl, C 2-7 -alkinyl, fluoro-C 1-7 -alkyl and cyano; R 8 is selected from the group consisting of hydrogen, C 1-7 -alkyl, C 3-7 -cycloalkyl and fluoro-C 1-7 -alkyl; R 9 is selected from the group consisting of hydrogen, C 1-7 -alkyl, C 2-7 -alkinyl, C 3-7 -cycloalkyl and fluoro-C 1-7 -alkyl; R 10 is selected from the group consisting of hydrogen, C 1-7 -alkyl, C 2-7 -alkinyl, C 3-7 -cycloalkyl and fluoro-C 1-7 -alkyl; R 11 is aryl or heteroaryl; N is 0, 1 or 2; and all enantiomers and pharmaceutically acceptable salts and/or esters thereof and their use as PPAR activators.

  这项发明涉及以下式的化合物 1 其中 X为N，Y为S或O；或 X为S或O，Y为N； R 1 为氢或C 1-7 -烷基； R 2 和R 3 彼此独立地从氢、C 1-7 -烷基和C 1-7 -烷氧基组成的群中选择； R 4 、R 5 、R 6 和R 7 彼此独立地从氢、C 1-7 -烷基、C 3-7 -环烷基、卤素、C 1-7 -烷氧基、C 1-7 -烷基-C 1-7 -烷氧基-C 1-7 -烷基、C 2-7 -烯基、C 2-7 -炔基、氟代C 1-7 -烷基和氰基中选择； R 8 从氢、C 1-7 -烷基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 9 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 10 从氢、C 1-7 -烷基、C 2-7 -炔基、C 3-7 -环烷基和氟代C 1-7 -烷基中选择； R 11 为芳基或杂环芳基； N为0、1或2； 以及所有对映体和药学上可接受的盐和/或酯以及它们作为PPAR激动剂的用途。
• [EN] NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS<br/>[FR] NOUVEAUX COMPOSES 2-ARYLTHIAZOLE UTILISES COMME AGONISTES DES RECEPTEURS PPARALPHA ET PPARGAMMA
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004020420A1

  公开（公告）日：2004-03-11

  The present invention relates to compounds of formula (I) wherein Rl to R10, X, Y and n are as defined in the description and claims, and pharmaceutically acceptable salts and esters thereof. The compounds are useful for the treatment of diseases such as diabetes.

  本发明涉及式(I)的化合物，其中R1至R10、X、Y和n如描述和权利要求中所定义，并且其药学上可接受的盐和酯。这些化合物对于治疗疾病如糖尿病是有用的。