2-acetylamino-4-methyl-thiazole-5-sulfonic acid amide | 80691-11-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-acetylamino-4-methyl-thiazole-5-sulfonic acid amide
• 英文别名: 2-Acetylamino-4-methyl-thiazol-5-sulfonsaeure-amid；N-[5-(aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]acetamide；N-(4-methyl-5-sulfamoylthiazol-2-yl)acetamide；N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
• CAS: 80691-11-8
• 化学式: C₆H₉N₃O₃S₂
• mdl: MFCD00720548
• 分子量: 235.288
• InChiKey: LXASOSGTNFQNER-UHFFFAOYSA-N

物化性质

• 熔点：
  230-231 °C(Solv: acetic acid (64-19-7))
• 密度：
  1.563±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-acetylamino-4-methyl-thiazole-5-sulfonic acid amide 在 肼 作用下， 以 水 为溶剂， 反应 4.0h， 生成 2-氨基-4-甲基-1,3-噻唑-5-磺酰胺
  参考文献：
  名称：

  [EN] PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS
  [FR] COMPOSES

  摘要：

  公式（1）的化合物，或其药用可接受的盐、溶剂化合物或体内水解酯，以及包括这些化合物的药物组合物，均用于治疗趋化因子介导的疾病和障碍。

  公开号：

  WO2006024823A1
• 作为产物：
  描述：

  2-乙酰胺基-4-甲基噻唑-5-磺酰氯 在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 2-acetylamino-4-methyl-thiazole-5-sulfonic acid amide
  参考文献：
  名称：

  APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES

  摘要：

  公开了抑制抗凋亡Bcl-2蛋白活性的化合物，包含这些化合物的组合物以及治疗表达抗凋亡Bcl-2蛋白疾病的方法。

  公开号：

  US20100184766A1

文献信息

• [EN] PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV<br/>[FR] COMPOSES PYRIDINES UTILISES COMME INHIBITEURS DE DIPEPTIDYLE PEPTIDASE IV
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005042488A1

  公开（公告）日：2005-05-12

  A compound represented by the formula wherein R1 and R2 are the same or different and each is an optionally substituted hydrocarbon group or an optionally substituted hydroxy group; R3 is an optionally substituted aromatic group; R4 is an optionally substituted amino group; L is a divalent chain hydrocarbon group; Q is a bond or a divalent chain hydrocarbon group; and X is a hydrogen atom, a cyano group, a nitro group, an acyl group, a substituted hydroxy group, an optionally substituted thiol group, an optionally substituted amino group or an optionally substituted cyclic group; provided that when X is an ethoxycarbonyl group, then Q is a divalent chain hydrocarbon group. The compound has a peptidase inhibitory action, is useful as an agent for the prophylaxis or treatment of diabetes and the like, and is superior in efficacy, duration of action, specificity, lower toxicity and the like.

  该化合物的化学式表示为其中R1和R2相同或不同，每个都是可选择取代的碳氢基团或可选择取代的羟基团；R3是可选择取代的芳香基团；R4是可选择取代的氨基团；L是二价链状碳氢基团；Q是键或二价链状碳氢基团；X是氢原子、氰基、硝基、酰基、取代的羟基团、可选择取代的硫醇基团、可选择取代的氨基团或可选择取代的环状基团；但当X是乙氧羰基团时，Q为二价链状碳氢基团。该化合物具有肽酶抑制作用，可用作糖尿病等疾病的预防或治疗药物，并在功效、作用持续时间、特异性、毒性较低等方面具有优越性。
• [EN] PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS<br/>[FR] COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2006024823A1

  公开（公告）日：2006-03-09

  A compound of formula (1), or a pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof and pharmaceutical compositions comprising these, all for use in the treatment of chemokine mediated diseases and disorders.

  公式（1）的化合物，或其药用可接受的盐、溶剂化合物或体内水解酯，以及包括这些化合物的药物组合物，均用于治疗趋化因子介导的疾病和障碍。
• Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators
  申请人：Cheshire David Ranulf

  公开号：US20080096860A1

  公开（公告）日：2008-04-24

  A compound of formula (1), or a pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof and pharmaceutical compositions comprising these, all for use in the treatment of chemokine mediated diseases and disorders.

  公式（1）的化合物，或其药学上可接受的盐，溶剂或体内可水解的酯，以及包含这些化合物的制药组合物，均可用于治疗趋化因子介导的疾病和障碍。
• Pyridine compounds as inhibitors of dipeptidyl peptidase IV
  申请人：Oi Satoru

  公开号：US20070037807A1

  公开（公告）日：2007-02-15

  A compound represented by the formula wherein R 1 and R 2 are the same or different and each is an optionally substituted hydrocarbon group or an optionally substituted hydroxy group; R 3 is an optionally substituted aromatic group; R 4 is an optionally substituted amino group; L is a divalent chain hydrocarbon group; Q is a bond or a divalent chain hydrocarbon group; and X is a hydrogen atom, a cyano group, a nitro group, an acyl group, a substituted hydroxy group, an optionally substituted thiol group, an optionally substituted amino group or an optionally substituted cyclic group; provided that when X is an ethoxycarbonyl group, then Q is a divalent chain hydrocarbon group. The compound has a peptidase inhibitory action, is useful as an agent for the prophylaxis or treatment of diabetes and the like, and is superior in efficacy, duration of action, specificity, lower toxicity and the like.

  该化合物的化学式为其中R1和R2是相同或不同的可选择取代的烃基或可选择取代的羟基；R3是可选择取代的芳香基；R4是可选择取代的氨基；L是二价链烃基；Q是键或二价链烃基；X是氢原子、氰基、硝基、酰基、可选择取代的羟基、可选择取代的硫醇基、可选择取代的氨基或可选择取代的环状基；但当X是乙氧羰基时，Q是二价链烃基。该化合物具有肽酶抑制作用，可用作预防或治疗糖尿病等药物，具有优异的疗效、持续时间、特异性、低毒性等特点。
• TRIAZOLE DERIVATIVE
  申请人：Ono Naoya

  公开号：US20100041655A1

  公开（公告）日：2010-02-18

  An object of the present invention is to provide a compound having an action of inhibiting binding between S1P and its receptor, Edg-1 (S1P 1 ), and is useful as a pharmaceutical compound. A compound or a pharmaceutically acceptable salt thereof, which compound is represented by the formula below (where A represents an oxygen atom, a sulfur atom, a group represented by Formula —SO—, a group represented by Formula —SO 2 — or the like, R 1 represents a hydrogen atom, an alkyl group having 1-6 carbon atoms, or the like, R 1A represents a hydrogen atom or the like, R 2 represents an alkyl group having 1-6 carbon atoms, a cycloalkyl group having 3-6 carbon atoms, or the like, represents an aryl group, R 4 represents a hydrogen atom or an alkyl group having 1-6 carbon atoms and optionally substituted with a carboxyl group, and R 5 represents an alkyl group having 1-carbon atoms, a cycloalkyl group having 3-8 carbon atoms, an aryl group which is optionally substituted, or the like).

  本发明的目的是提供一种化合物，具有抑制S1P与其受体Edg-1（S1P1）结合的作用，并且可用作制药化合物。该化合物或其药学上可接受的盐，所述化合物由以下公式表示（其中A表示氧原子、硫原子、由公式—SO—表示的基团、由公式—SO2—表示的基团或类似基团，R1表示氢原子、具有1-6个碳原子的烷基或类似基团，R1A表示氢原子或类似基团，R2表示具有1-6个碳原子的烷基、具有3-6个碳原子的环烷基或类似基团，表示芳基基团，R4表示氢原子或具有1-6个碳原子且可选择性地取代羧基的烷基基团，而R5表示具有1个碳原子的烷基基团、具有3-8个碳原子的环烷基、可选择性地取代的芳基基团或类似基团）。