3-Benzthiazolyl-(2)-propionylhydroxamsaeure | 21344-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-Benzthiazolyl-(2)-propionylhydroxamsaeure
• 英文别名: 3-benzothiazol-2-yl-N-hydroxy-propionamide；3-(benzo[d]thiazol-2-yl)-N-hydroxypropanamide；3-(1,3-benzothiazol-2-yl)-N-hydroxypropanamide
• CAS: 21344-60-5
• 化学式: C₁₀H₁₀N₂O₂S
• mdl: MFCD18813242
• 分子量: 222.268
• InChiKey: UWYAWMFQGRZKQA-UHFFFAOYSA-N

物化性质

• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  90.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲基3-(1,3-苯并噻唑-2-基)丙酸酯 在 硫酸羟胺 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 3-Benzthiazolyl-(2)-propionylhydroxamsaeure
  参考文献：
  名称：

  Babichev,F.S.; Antosh,I., Soviet progress in chemistry, 1968, vol. 34, # 9, p. 53 - 56

  摘要：

  DOI：

文献信息

• CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS
  申请人：FINN Paul W.

  公开号：US20100093743A1

  公开（公告）日：2010-04-15

  This invention pertains to certain carbamic acid compounds of the following formula, which inhibit HDAC (histone deacetylase) activity wherein: A is independently an unsubstituted or substituted bicyclic C 9-10 heteroaryl group (e.g., quinolinyl; quinoxalinyl; benzoxazolyl; benzothiazolyl); Q is an acid leader group, and is independently an unsubstituted or substituted, saturated or unsaturated C 1 7 alkylene group having a backbone length of 4 or less; with the proviso that if A is unsubstituted benzothiazol-2-yl, then Q is an unsaturated group; and with the proviso that if A is unsubstituted quinolin-6-yl, then Q is unsubstituted at the α-position; and with the proviso that A is not benzimidazol-2-yl; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. 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 HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  本发明涉及以下式的某些碳酰胺类化合物，其抑制HDAC（组蛋白去乙酰化酶）活性，其中：A是独立的未取代或取代的双环C9-10杂环基团（例如，喹啉基；喹啉氧基基；苯并噁唑基；苯并噻唑基）；Q是酸性引导基团，且是独立的未取代或取代的饱和或不饱和的C1 7烷基基团，其骨架长度为4或更短；但是，如果A是未取代的苯并噻唑-2-基，则Q是不饱和基团；如果A是未取代的喹啉-6-基，则Q在α-位置未取代；且A不是苯并咪唑-2-基；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这些化合物的制药组合物，以及这些化合物和组合物在体内外抑制HDAC和治疗由HDAC介导的疾病，如癌症、增殖性疾病、牛皮癣等方面的用途。
• US7652036B2
  申请人：——

  公开号：US7652036B2

  公开（公告）日：2010-01-26
• US8071620B2
  申请人：——

  公开号：US8071620B2

  公开（公告）日：2011-12-06
• [EN] HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDES HYDROXAMIQUE ET CARBOXYLIQUE
  申请人：DARWIN DISCOVERY LTD

  公开号：WO2000069827A1

  公开（公告）日：2000-11-23

  Compounds of formula (I) in which A is C=O, NR6, O, S or a bond; B is a carbon or nitrogen atom; X is C=O, NR6, O, S, or a bond; Y is OH or NHOH; and the other variables are as defined in the claims, have therapeutic utility as inhibitors of metalloproteinases.
• Babichev,F.S.; Antosh,I., Soviet progress in chemistry, 1968, vol. 34, # 9, p. 53 - 56
  作者：Babichev,F.S.、Antosh,I.

  DOI：——

  日期：——