8-羟基喹啉-4-羧酸 | 55766-82-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 8-羟基喹啉-4-羧酸
• 英文名称: 5-chloro-8-isoquinolylamine
• 英文别名: 8-Amino-5-chlor-isochinolin；5-chloro-isoquinolin-8-ylamine；5-Chlor-[8]isochinolylamin；8-amino-5-chloroisoquinoline；5-Chloroisoquinolin-8-amine
• CAS: 55766-82-0
• 化学式: C₉H₇ClN₂
• mdl: MFCD19687159
• 分子量: 178.621
• InChiKey: JZNPXPCJZLGGEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.91
• 氢给体数：
  1.0
• 氢受体数：
  2.0

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  8-羟基喹啉-4-羧酸 在 盐酸 、 sodium azide 、 sodium acetate 、 sodium nitrite 作用下， 生成 5-chloro-8-isoquinolyl azide
  参考文献：
  名称：

  Hollywood, Frank; Nay, Barry; Scriven, Eric F. V., Journal of the Chemical Society. Perkin transactions I, 1982, p. 421 - 429

  摘要：

  DOI：
• 作为产物：
  描述：

  5-chloro-8-nitroisoquinoline 在 盐酸 、 tin(ll) chloride 作用下， 生成 8-羟基喹啉-4-羧酸
  参考文献：
  名称：

  Manske; Kulka, Canadian Journal of Research, Section B: Chemical Sciences, 1949, vol. 27, p. 161,166

  摘要：

  DOI：

文献信息

• Thiadiazole Compounds and Uses Thereof
  申请人：Rajagopalan Raghavan

  公开号：US20090036502A1

  公开（公告）日：2009-02-05

  Thiadiazole compounds, compositions, bioconjugates, and methods for targeting and photoactivation at target sites.

  噻二唑化合物、组成物、生物共轭物和在目标位点进行靶向和光活化的方法。
• Manske; Kulka, Canadian Journal of Research, Section B: Chemical Sciences, 1949, vol. 27, p. 161,166
  作者：Manske、Kulka

  DOI：——

  日期：——
• DE583207
  申请人：——

  公开号：——

  公开（公告）日：——
• Tetrahydro thiadiazolo isoquinolines: synthesis and inhibition of phenylethanolamine-N-methyltransferase
  作者：Gerald R. Girard、William E. Bondinell、Leonard M. Hillegass、Kenneth G. Holden、Robert G. Pendleton、Irene Uzinskas

  DOI：10.1021/jm00127a027

  日期：1989.7

  A series of 7,8-fused heterocyclic tetrahydroisoquinolines were synthesized and tested as inhibitors of rabbit adrenal phenylethanolamine-N-methyltransferase (PNMT). 6,7,8,9-Tetrahydro[1,2,3]thiadiazolo[5,4-h]isoquinoline 5 (SK&F 86607) was found to be a potent inhibitor of PNMT with an IC50 similar to that of 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline (1, SK&F 64139). The isomeric tetrahydro[1,2,3]thiadiazolo[4,5-h]- and tetrahydro[1,2,5]thiadiazolo[3,4-h]isoquinolines, 13 and 20, were also potent PNMT inhibitors. However, substitution of Cl at position 5 (17) resulted in loss of potency similar to the loss observed in the 5-chloro analogue of 1. The 1,2,5 isomer 20 showed only a small drop in activity at 10(-6) M. All of the thiadiazoles were more potent than the 7,8-benzo-fused analogue 36. Fusion of other five-membered heterocyclic ring systems at the 7,8-position, e.g. triazole 22 and imidazoles 24 and 26, resulted in a decrease of PNMT inhibition. The alpha-adrenoreceptor affinities of 1 and 5 were also compared.
• GIRARD, GERALD R.;BONDINELL, WILLIAM E.;HILLEGASS, LEONARD M.;HOLDEN, KEN+, J. MED. CHEM. , 32,(1989) N, C. 1566-1571
  作者：GIRARD, GERALD R.、BONDINELL, WILLIAM E.、HILLEGASS, LEONARD M.、HOLDEN, KEN+

  DOI：——

  日期：——