3-carboxymethyl-4-methylthiazolium bromide | 945390-91-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-carboxymethyl-4-methylthiazolium bromide
• 英文别名: 3-benzyloxycarbonylmethyl-4-methyl-thiazole-3-bromide；3-carboxymethyl-4-methyl-thiazol-3-ium bromide；3-carboxymethyl-4-methyl-thiazolium bromide；2-(4-methyl-1,3-thiazol-3-ium-3-yl)acetic acid;bromide
• CAS: 945390-91-0
• 化学式: Br*C₆H₈NO₂S
• 分子量: 238.105
• InChiKey: SKJYGUYPCMVEQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.57
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-carboxymethyl-4-methylthiazolium bromide 在 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以75%的产率得到3-(carboxymethyl)-4-methylthiazole bromide sodium salt
  参考文献：
  名称：

  THIAZOLIUM SALT COMPOUND AND ITS USE FOR TREATING PROTEIN AGING ASSOCIATED DISEASES

  摘要：

  公开号：

  EP2341048B1
• 作为产物：
  描述：

  3-benzyloxycarbonylmethyl-4-methyl-thiazole-3-bromide 在 水 、 potassium carbonate 、 氢溴酸 作用下， 反应 3.0h， 以50%的产率得到3-carboxymethyl-4-methylthiazolium bromide
  参考文献：
  名称：

  Novel Salts Of Substituted 5-Membered Azacycle And Use Thereof In The Treatment Of Diseases Related To Protein Aging

  摘要：

  本发明涉及式(I)的5-成员杂环化合物，其药学上可接受的盐及其水合物，其中所述基团如规范中定义。本发明还涉及含有所述化合物或其药学上可接受的盐或水合物的药物组合物，并且用于(i)改善皮肤弹性或减少皮肤皱纹，(ii)治疗糖尿病，(iii)治疗或缓解糖尿病的不良后遗症，(iv)治疗或缓解肾脏损伤，(v)治疗或缓解血管损伤，(vi)治疗或缓解高血压，(vii)治疗或缓解视网膜病变，(viii)治疗或缓解晶状体蛋白损伤，(ix)治疗或缓解白内障，(x)治疗或缓解周围神经病变，或(xi)治疗或缓解骨关节炎。本发明还涉及利用所述化合物或其药学上可接受的盐或水合物制备口服制剂以抑制或逆转牙齿变色，或用于植物蛋白或作物或动物蛋白的保鲜剂的制备。

  公开号：

  US20090227643A1

文献信息

• Thiazole Inner Salt Compounds, and Preparation Methods and Uses Thereof
  申请人：INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA

  公开号：US20160137619A1

  公开（公告）日：2016-05-19

  The present invention pertains to field of pharmaceutical chemicals, and relates to thiazole inner salt compounds, preparation methods and uses thereof. Specifically, the present invention relates to a compound of Formula I, hydrates or pharmaceutically acceptable salts thereof. The compound of Formula I of the present invention is a potent cross-linking protein cleavage agent, has a stable structure, good physical and chemical properties, and good pharmacological activities, and is suitable for large scale production to obtain samples with stable, controllable and reliable quality, thereby being suitable for pharmaceutical development.

  本发明涉及制药化学领域，涉及噻唑内盐化合物、其制备方法和用途。具体而言，本发明涉及一种符合式I的化合物，以及其水合物或药用可接受的盐。本发明的符合式I化合物是一种强效的交联蛋白裂解剂，具有稳定的结构、良好的物理化学性质和良好的药理活性，适用于大规模生产以获得具有稳定、可控和可靠质量的样品，从而适用于药物开发。
• Thiazoliums and Their Use for Treating Protein Aging Associated Diseases
  申请人：Li Song

  公开号：US20110178141A1

  公开（公告）日：2011-07-21

  The present invention relates to a composition of a thiazolium compound of formula I or a solvate thereof, wherein the definitions of groups in the formula I are as those given in the claims:

  本发明涉及一种式I的噻唑化合物或其溶剂化物的组合物，其中式I中各基团的定义如权利要求中所述：
• Thiazoliums and their use for treating protein aging associated diseases
  申请人：Beijing Molecule Science And Technology Co., Ltd.

  公开号：US08338616B2

  公开（公告）日：2012-12-25

  The present invention relates to a composition of a thiazolium compound of formula I or a solvate thereof, wherein the definitions of groups in the formula I are as those given in the claims:

  本发明涉及一种公式I的噻唑化合物或其溶剂化物的组合物，其中公式I中所述的基团定义如权利要求中所述：
• THIAZOLIUM SALT COMPOUND AND THE USE OF TREATING THE PROTEIN AGING DISEASE
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP2341048A1

  公开（公告）日：2011-07-06

  The present invention relates to a composition of a thiazolium compound of formula I or a solvate thereof, wherein the definitions of groups in the formula I are as those given in the claims:

  本发明涉及一种由式 I 的噻唑鎓化合物或其溶液组成的组合物，其中式 I 中各基团的定义如权利要求中所述：
• THIAZOLE INNER SALT COMPOUNDS AND PREPARATION METHOD AND USE THEREOF
  申请人：Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China

  公开号：EP3020711A1

  公开（公告）日：2016-05-18

  The present invention pertains to field of pharmaceutical chemicals, and relates to thiazole inner salt compounds, preparation methods and uses thereof. Specifically, the present invention relates to a compound of Formula I, hydrates or pharmaceutically acceptable salts thereof. The compound of Formula I of the present invention is a potent cross-linking protein cleavage agent, has a stable structure, good physical and chemical properties, and good pharmacological activities, and is suitable for large scale production to obtain samples with stable, controllable and reliable quality, thereby being suitable for pharmaceutical development.

  本发明涉及医药化学品领域，涉及噻唑内盐化合物、制备方法及其用途。具体而言，本发明涉及一种式 I 的化合物、其水合物或药学上可接受的盐。本发明的式I化合物是一种强效交联蛋白裂解剂，结构稳定，理化性质好，药理活性好，适合大规模生产，获得的样品质量稳定、可控、可靠，从而适合于医药开发。