1,3-苯并噻唑-2-基甲基盐酸盐 | 24662-24-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 1,3-苯并噻唑-2-基甲基盐酸盐
• 中文别名: 1-苯并噻吩-3-硫代甲酰胺
• 英文名称: 1-benzothiophene-3-carbothioamide
• CAS: 24662-24-6
• 化学式: C₉H₇NS₂
• 分子量: 193.293
• InChiKey: SQGQIBRTUHBEDB-UHFFFAOYSA-N

物化性质

• 熔点：
  121 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36/37
• 危险类别码：
  R20/21/22
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,3-苯并噻唑-2-基甲基盐酸盐 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-(benzo[b]thiophen-3-yl)-4-(bromomethyl)-4-methyl-4,5-dihydrothiazole
  参考文献：
  名称：

  S-烯丙基硫亚氨酸盐的盐环化合成季取代的噻唑啉

  摘要：

  描述了通过硫代酰胺与烯丙基溴衍生物的偶联有效合成S-烯丙基硫代亚氨酸氢溴酸盐的方法。容许一系列在电子学上有所变化的单，二和三取代的烯烃以及烷基和芳基硫代酰胺。这些盐的快速抗-非对映选择性卤环化提供了各种取代的烷基-和芳基噻唑啉。还描述了通过有机催化的磺酸盐硫代亚氨酸盐的卤代环化反应来有效地合成季取代的噻唑啉的对映体。

  DOI：

  10.1021/acs.joc.7b02299

文献信息

• Five-membered heterocyclic compounds as inhibitors of SRC family protein kinase.
  申请人：Sireen AG

  公开号：EP1555264A1

  公开（公告）日：2005-07-20

  The present invention refers to novel substituted aromatic heteroaryl derivatives of formula (I). with the definitions of A, L1, L2, G, J, X and Y according to claim 1. These novel compounds are useful for the inhibition of protein kinases, particularly of the inhibition of Src family protein kinases. Methods for inhibiting kinases by contacting kinases with these novel compounds are disclosed. In another embodiment the present invention refers to pharmaceutical compositions containing these novel compounds and their use for the preparation of medicaments for treating diseases or disorders associated with unphysiological activity of kinases in the body, particularly for the treatment of cancer, immunosuppression, and osteoporosis.

  本发明涉及公式（I）的新型取代芳香杂环衍生物，其中A、L1、L2、G、J、X和Y的定义如权利要求1所述。这些新型化合物对蛋白激酶的抑制具有用处，特别是对Src家族蛋白激酶的抑制。公开了通过将这些新型化合物与激酶接触来抑制激酶的方法。在另一实施方式中，本发明涉及含有这些新型化合物的药物组合物，以及它们用于制备用于治疗体内激酶非生理活性相关疾病或紊乱的药物，特别是用于癌症、免疫抑制和骨质疏松症的治疗。
• Coupling of thioamides with 4-bromocrotonate esters and subsequent conjugate addition for the rapid one-pot synthesis of functionalized thiazolines
  作者：Patrick D. Parker、Yonghe Ge、Joshua G. Pierce

  DOI：10.1016/j.tetlet.2017.12.043

  日期：2018.1

  An efficient one-pot synthesis of functionalized thiazolines via the coupling of thioamides with 4-bromocrotonate esters is described. A range of aryl- and alkyl-thioamides with various substitutions are well-tolerated. Additionally, the presence of the exocyclic ester functionality provides a convenient handle for the synthesis of more complex thiazoline-containing natural products and biologically-relevant

  描述了通过硫代酰胺与4-溴巴豆酸酯结合的有效的一锅法合成的官能化噻唑啉。一系列具有各种取代基的芳基和烷基硫代酰胺具有良好的耐受性。另外，环外酯官能团的存在为合成更复杂的含噻唑啉的天然产物和生物学相关的化合物提供了方便的处理方法。
• FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE
  申请人：Sirenade Pharmaceuticals AG

  公开号：EP1709040A2

  公开（公告）日：2006-10-11
• [EN] KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSES INHIBITEURS DE KINASES
  申请人：SIRENADE PHARMACEUTICALS AG

  公开号：WO2005068458A2

  公开（公告）日：2005-07-28

  The present invention refers to novel substituted aromatic heteroaryl derivatives of formula (I), with the definitions of a, L1, L2, G, J, X and Y according to claim 1. These novel compounds are useful for the inhibition of protein kinases, particularly of the inhibition of Src family protein kinases. Methods for inhibiting kinases by contacting kinases with these novel compounds are disclosed. In another embodiment the present invention refers to pharmaceutical compositions containing these novel compounds and their use of medicaments for treating diseases or disorders associated with unphysiological activity of kinases in the body, particularly for the treatment of cancer, immunosuppression, and osteoporosis.
• Synthesis of Quaternary-Substituted Thiazolines via Halocyclization of <i>S</i>-Allyl Thioimidate Salts
  作者：Patrick D. Parker、Bérénice C. Lemercier、Joshua G. Pierce

  DOI：10.1021/acs.joc.7b02299

  日期：2018.1.5

  described. A range of mono-, di-, and trisubstituted olefins as well as alkyl- and arylthioamides with variations in electronics are tolerated. A rapid anti-diastereoselective halocyclization of these salts provides a variety of substituted alkyl- and arylthiazolines. Initial development of an efficient enantioselective synthesis of quaternary-substituted thiazolines through the organo-catalyzed halocyclization

  描述了通过硫代酰胺与烯丙基溴衍生物的偶联有效合成S-烯丙基硫代亚氨酸氢溴酸盐的方法。容许一系列在电子学上有所变化的单，二和三取代的烯烃以及烷基和芳基硫代酰胺。这些盐的快速抗-非对映选择性卤环化提供了各种取代的烷基-和芳基噻唑啉。还描述了通过有机催化的磺酸盐硫代亚氨酸盐的卤代环化反应来有效地合成季取代的噻唑啉的对映体。