5-甲氨基-C异恶唑盐酸盐 | 440099-32-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-甲氨基-C异恶唑盐酸盐
• 中文别名: 异噁唑-5-甲胺盐酸盐
• 英文名称: isoxazol-5-ylmethylamine hydrochloride
• 英文别名: 1-(1,2-oxazol-5-yl)methanamine hydrochloride；C-isoxazol-5-yl-methylamine hydrochloride；Isoxazol-5-ylmethanamine hydrochloride；1,2-oxazol-5-ylmethanamine;hydrochloride
• CAS: 440099-32-1
• 化学式: C₄H₆N₂O*ClH
• mdl: MFCD06738817
• 分子量: 134.565
• InChiKey: PRNKBQWBHXELQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-甲氨基-C异恶唑盐酸盐 、 ethyl 9-fluoro-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxylate 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以56%的产率得到9-fluoro-7-hydroxy-N-(isoxazol-5-ylmethyl)-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
  参考文献：
  名称：

  Identification of Human Toll-like Receptor 2-Agonistic Activity in Dihydropyridine–Quinolone Carboxamides

  摘要：

  Using a multiplexed, reporter gene-based, high throughput screen, we identified 9-fluoro-7-hydroxy-3-methyl-5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H,SH-pyrido- [3,2,1-ij]quinoline-6-carboxamide as a TLR2 agonist. Preliminary structure-activity relationship studies on the carboxamide moiety led to the identification of analogues that induce chemokines and cytokines in a TLR2-dependent manner. These results represent new leads for the development of vaccine adjuvants.

  DOI：

  10.1021/acsmedchemlett.8b00540

文献信息

• [EN] TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR<br/>[FR] COMPOSÉS DE TRIAZOLE PYRIDYLE EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018093580A1

  公开（公告）日：2018-05-24

  Compounds of Formula I and Formula II, pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and may have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the structures where the definitions of the variables are provided herein.

  化合物I和化合物II，其药用可接受盐，上述任何的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。化合物I和化合物II的结构如下，其中变量的定义在此处提供。
• Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists
  申请人：——

  公开号：US20040058912A1

  公开（公告）日：2004-03-25

  The invention relates to novel benzazepines and related heterocyclic derivatives (I) and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.

  该发明涉及新型苯并吡嗪和相关杂环衍生物（I），以及它们作为药物组成物中的活性成分的用途。该发明还涉及相关方面，包括用于制备这些化合物的过程、含有这些化合物中的一个或多个的药物组成物，特别是它们作为促进睡眠的受体拮抗剂的用途。
• Benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists
  申请人：Actelion Pharmaceuticals, Ltd.

  公开号：US07192950B2

  公开（公告）日：2007-03-20

  The invention relates to novel benzazepines and related heterocyclic derivatives (I) and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.

  本发明涉及新型苯并氮杂环衍生物(I)及其相关杂环衍生物，以及它们作为制备药物组合物的活性成分的用途。本发明还涉及相关方面，包括制备化合物的过程、含有其中一种或多种化合物的药物组合物，特别是它们作为促进睡眠的受体拮抗剂的用途。
• WO2023/287704
  申请人：——

  公开号：——

  公开（公告）日：——
• Identification of Human Toll-like Receptor 2-Agonistic Activity in Dihydropyridine–Quinolone Carboxamides
  作者：Ziwei Hu、Janardhan Banothu、Mallesh Beesu、Collin J. Gustafson、Michael J. H. Brush、Kathryn L. Trautman、Alex C. D. Salyer、Balaji Pathakumari、Sunil A. David

  DOI：10.1021/acsmedchemlett.8b00540

  日期：2019.1.10

  Using a multiplexed, reporter gene-based, high throughput screen, we identified 9-fluoro-7-hydroxy-3-methyl-5-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H,SH-pyrido- [3,2,1-ij]quinoline-6-carboxamide as a TLR2 agonist. Preliminary structure-activity relationship studies on the carboxamide moiety led to the identification of analogues that induce chemokines and cytokines in a TLR2-dependent manner. These results represent new leads for the development of vaccine adjuvants.