tetrahydrothiophen-3-amine hydrochloric acid salt | 89123-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫杂环戊烷
• 英文名称: tetrahydrothiophen-3-amine hydrochloric acid salt
• 英文别名: Thiolan-3-ylazanium;chloride
• CAS: 89123-28-4
• 化学式: C₄H₉NS*ClH
• 分子量: 139.649
• InChiKey: GYVSFOHSVVNCKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.87
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(甲氧基羰基)苯基异氰酸酯 、 tetrahydrothiophen-3-amine hydrochloric acid salt 在 sodium hydride 作用下， 生成 2-(Tetrahydro-thiophen-3-ylamino)-benzo[d][1,3]oxazin-4-one
  参考文献：
  名称：

  2-Amino-4H-3,1-benzoxazin-4-ones as Inhibitors of C1r Serine Protease

  摘要：

  A series of 2-amino-4H-3,1-benzoxazin-4-ones have been synthesized and evaluated as inhibitors of the complement enzyme C1r. C1r is a serine protease at the beginning of the complement cascade, and complement activation by beta-amyloid may represent a major contributing pathway to the neuropathology of Alzheimer's disease. Compounds such as 7-chloro-2-[(2-iodophenyl)amino]benz[d][1,3]oxazin-4-one (32) and 7-methyl-2-[(2-iodophenyl)amino]benz[d] 4-one (37) show improved potency compared to the reference compound FUT-175. Many of these active compounds also possess increased selectivity for C1r compared to trypsin and enhanced hydrolytic stability relative to 2-(2-iodophenyl)-4H-3,1-benzoxazin-4-one (1).

  DOI：

  10.1021/jm970394d
• 作为产物：
  描述：

  tetrahydrothiophen-3-one oxime 在 盐酸 、 红铝 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 tetrahydrothiophen-3-amine hydrochloric acid salt
  参考文献：
  名称：

  Jones, John O.; McElhinney, R. Stanley, Journal of Chemical Research, Miniprint, 1984, # 5, p. 1501 - 1517

  摘要：

  DOI：

文献信息

• [EN] PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRROLOPYRIDAZINE UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：GOSSAMER BIOSERVICES INC

  公开号：WO2022109492A1

  公开（公告）日：2022-05-27

  Described herein are inhibitors of JAK kinases, pharmaceutical compositions comprising them, processes for preparing them and uses of such inhibitors to treat or prevent diseases, disorders and conditions associated with kinase function.

  本文描述了JAK激酶抑制剂，包括它们的制药组合物、制备它们的过程以及使用这些抑制剂来治疗或预防与激酶功能相关的疾病、紊乱和病况。
• 2-Amino-4<i>H</i>-3,1-benzoxazin-4-ones as Inhibitors of C1r Serine Protease
  作者：Sheryl J. Hays、Bradley W. Caprathe、John L. Gilmore、Nilam Amin、Mark R. Emmerling、Walter Michael、Ravi Nadimpalli、Rathna Nath、Kadee J. Raser、Daniel Stafford、Desiree Watson、Kevin Wang、Juan C. Jaen

  DOI：10.1021/jm970394d

  日期：1998.3.1

  A series of 2-amino-4H-3,1-benzoxazin-4-ones have been synthesized and evaluated as inhibitors of the complement enzyme C1r. C1r is a serine protease at the beginning of the complement cascade, and complement activation by beta-amyloid may represent a major contributing pathway to the neuropathology of Alzheimer's disease. Compounds such as 7-chloro-2-[(2-iodophenyl)amino]benz[d][1,3]oxazin-4-one (32) and 7-methyl-2-[(2-iodophenyl)amino]benz[d] 4-one (37) show improved potency compared to the reference compound FUT-175. Many of these active compounds also possess increased selectivity for C1r compared to trypsin and enhanced hydrolytic stability relative to 2-(2-iodophenyl)-4H-3,1-benzoxazin-4-one (1).
• Jones, John O.; McElhinney, R. Stanley, Journal of Chemical Research, Miniprint, 1984, # 5, p. 1501 - 1517
  作者：Jones, John O.、McElhinney, R. Stanley

  DOI：——

  日期：——

表征谱图