5-bromoacetyl-2,4-dimethylthiazole hydrobromide | 76007-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-bromoacetyl-2,4-dimethylthiazole hydrobromide
• 英文别名: 2-bromo-1-(2,4-dimethyl-thiazol-5-yl)-ethanone; hydrobromide；2-bromo-1-(2,4-dimethyl-thiazol-5-yl)-ethanone hydrobromide；2-bromo-1-(2,4-dimethylthiazol-5-yl)ethanone hydrobromide；2-bromo-1-(2,4-dimethyl-thiazol-5-yl)-ethanone.HBr；2-bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;hydrobromide
• CAS: 76007-16-4
• 化学式: BrH*C₇H₈BrNOS
• 分子量: 315.029
• InChiKey: DDZXUPVHLRSQPO-UHFFFAOYSA-N

物化性质

• 熔点：
  139-140 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-bromoacetyl-2,4-dimethylthiazole hydrobromide 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 20.0h， 生成 3-(2',4'-dimethyl-[4,5']bithiazolyl-2-ylamino)-4-propoxy-benzamide
  参考文献：
  名称：

  BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION

  摘要：

  本发明涉及双噻唑I及其治疗和预防用途，其中变量A，R 5 ，R 6 ，和R 7 在说明书中定义。治疗的和/或预防的疾病包括类风湿性关节炎。

  公开号：

  US20120129842A1
• 作为产物：
  描述：

  2,4-二甲基-5-乙酰基噻唑 在 溴 作用下， 以 1,4-二氧六环 为溶剂， 反应 25.0h， 生成 5-bromoacetyl-2,4-dimethylthiazole hydrobromide
  参考文献：
  名称：

  BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION

  摘要：

  本发明涉及双噻唑I及其治疗和预防用途，其中变量A，R 5 ，R 6 ，和R 7 在说明书中定义。治疗的和/或预防的疾病包括类风湿性关节炎。

  公开号：

  US20120129842A1

文献信息

• METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION
  申请人：JACKSON Paul Francis

  公开号：US20120302573A1

  公开（公告）日：2012-11-29

  This invention relates to methods for preventing, treating or ameliorating an MMP9 and/or MMP13 mediated syndrome, disorder or disease comprising administering to a subject in need thereof an effective amount of a compound listed in the examples section of this specification, or a form, composition or medicament thereof. Disorders treated and/or prevented include rheumatoid arthritis.

  这项发明涉及预防、治疗或改善由MMP9和/或MMP13介导的综合症、紊乱或疾病的方法，包括向需要的受试者施用本说明书示例部分列出的化合物的有效量，或其形式、组合或药物。治疗和/或预防的疾病包括类风湿关节炎。
• Novel benzothiophene derivatives
  申请人：Daiichi Pharmaceutical Co. Ltd.

  公开号：US20030130340A1

  公开（公告）日：2003-07-10

  The present invention relates to novel benzothiophene derivatives represnted by the following formula (I) or salts thereof, inhibitors of steroid 17&agr;-hydroxylase and/or C17-20 lyase, and pharmaceutical compositions containing the benzothiophene derivative or the salt. 1 wherein Ar shows a substituted or unsubstituted aromatic heterocyclic group; R shows a hydroxyl group, lower alkyl group, lower alkyloxy group, halogen atom, carboxyl group, lower alkyloxycarbonyl group, carbamoyl group, amino group, amino group which may be substituted or not substituted with one or more substituents selected from a lower alkyl group and lower acyl group, cyano group, substituted or unsubstituted phenyl group, substituted or unsubstituted phenoxy group, substituted or unsubstituted phenyl lower alkyl group, substituted or unsubstituted phenyl lower alkyloxy group, or substituted or unsubstituted aromatic heterocyclic group.

  本发明涉及以下公式(I)表示的新的苯并噻吩衍生物或其盐，这些衍生物是类固醇17α-羟化酶和/或C17-20裂合酶的抑制剂，以及包含该苯并噻吩衍生物或其盐的药物组合物。 1 其中，Ar表示取代的或未取代的芳香杂环族；R表示羟基，低级烷基，低级烷氧基，卤素原子，羧基，低级烷氧基羰基，氨基甲酰基，氨基，可能被一个或多个选自低级烷基和低级酰基的取代基取代或不取代的氨基，氰基，取代的或未取代的苯基，取代的或未取代的苯氧基，取代的或未取代的苯基低级烷基，取代的或未取代的苯基低级烷氧基，或取代的或未取代的芳香杂环族。
• Unfused Heterobicycles as Amplifiers of Phleomycin. VII> Some Bithiazoles; Thienyl-, Furanyl- and Thiazolyl-thiadiazoles and Related Oxadiazoles
  作者：WB Cowden、SJ Sullivan、DJ Brown

  DOI：10.1071/ch9851257

  日期：——

  Syntheses are described for several unfused heterobicycles including 4,5′- and 2,4′-bithiazoles, 5-(thiazol-4′ and 5′-yl)-1,3,4- thiadiazoles , 5-(thien-2′-yl)-, 5-(furan-2′ and 3′-yl)-, thiadiazoles and related oxadiazoles, all with side chains containing dialkylamine terminal groups. The activities of these compounds as amplifiers of phleomycin -G are reported.

  介绍了几种未融合杂环的合成方法，包括 4,5′- 和 2,4′- 双噻唑、5-(噻唑-4′和 5′-基)-1,3,4-噻二唑、5-(噻吩-2′-基)-、5-(呋喃-2′和 3′-基)-、噻二唑和相关的噁二唑，所有侧链都含有二烷基胺末端基团。报告了这些化合物作为博来霉素-G 放大剂的活性。
• Crystal Structure of the Pro Form of a Matrix Metalloproteinase and an Allosteric Processing Inhibitor
  申请人：Leonard Kristi A.

  公开号：US20130040360A1

  公开（公告）日：2013-02-14

  The present invention includes a crystal comprising a complex of the pro form of a matrix metalloprotease (proMMP) and a small-molecule allosteric processing inhibitor that inhibits that activation of the proMMP, methods for identifying small-molecule allosteric processing inhibitors that inhibit the activation of a proMMP, and methods of treatment using small-molecule allosteric processing inhibitors that inhibit the activation of a proMMP. The present invention relates to the crystal structure of a complex of proMMP9 bound to a small-molecule allosteric processing inhibitor that inhibits activation of proMMP9. The invention further relates to the use of the methods and the crystal and related structural information for designing, selecting and/or optimizing small-molecule allosteric processing inhibitors that inhibit activation of proMMP9 and proMMP9 homologues. The present invention also relates to the use of small-molecule allosteric processing inhibitors for the treatment of diseases mediated by inappropriate matrix metalloproteinase (MMP) activity.

  本发明涉及包括一个晶体的复合物，该复合物包括一个基质金属蛋白酶（proMMP）的前体形式和一种小分子变构加工抑制剂，该抑制剂抑制proMMP的激活，还涉及用于识别抑制proMMP激活的小分子变构加工抑制剂的方法以及使用抑制proMMP激活的小分子变构加工抑制剂的治疗方法。本发明涉及proMMP9结合一种小分子变构加工抑制剂的晶体结构，该抑制剂抑制proMMP9的激活。本发明进一步涉及使用这些方法和晶体及相关结构信息来设计、选择和/或优化抑制proMMP9和proMMP9同源物激活的小分子变构加工抑制剂的用途。本发明还涉及使用小分子变构加工抑制剂治疗由不适当的基质金属蛋白酶（MMP）活性介导的疾病的用途。
• Methods of Treatment Using Allosteric Processing Inhibitors for Matrix Metalloproteinases
  申请人：Leonard Kristi A.

  公开号：US20130040994A1

  公开（公告）日：2013-02-14

  The present invention includes a crystal comprising a complex of the pro form of a matrix metalloprotease (proMMP) and a small-molecule allosteric processing inhibitor that inhibits that activation of the proMMP, methods for identifying small-molecule allosteric processing inhibitors that inhibit the activation of a proMMP, and methods of treatment using small-molecule allosteric processing inhibitors that inhibit the activation of a proMMP. The present invention relates to the crystal structure of a complex of proMMP9 bound to a small-molecule allosteric processing inhibitor that inhibits activation of proMMP9. The invention further relates to the use of the methods and the crystal and related structural information for designing, selecting and/or optimizing small-molecule allosteric processing inhibitors that inhibit activation of proMMP9 and proMMP9 homologues. The present invention also relates to the use of small-molecule allosteric processing inhibitors for the treatment of diseases mediated by inappropriate matrix metalloproteinase (MMP) activity.

  本发明涉及一种晶体，包括一种基质金属蛋白酶（proMMP）的前体形式和一种小分子变构加工抑制剂的复合物，该抑制剂抑制proMMP的激活，以及识别抑制proMMP激活的小分子变构加工抑制剂的方法，以及使用抑制proMMP激活的小分子变构加工抑制剂的治疗方法。本发明涉及proMMP9与抑制其激活的小分子变构加工抑制剂形成的复合物的晶体结构。本发明进一步涉及使用这些方法、晶体和相关结构信息来设计、选择和/或优化抑制proMMP9和proMMP9同源物激活的小分子变构加工抑制剂。本发明还涉及使用小分子变构加工抑制剂治疗由不适当的基质金属蛋白酶（MMP）活性介导的疾病。