quinoline-6-carboxamide oxime | 952511-23-8

• 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
• 英文名称: quinoline-6-carboxamide oxime
• 英文别名: Chinolin-6-carbamidoxim；N inverted exclamation mark-Hydroxyquinoline-6-carboximidamide；N'-hydroxyquinoline-6-carboximidamide
• CAS: 952511-23-8
• 化学式: C₁₀H₉N₃O
• 分子量: 187.201
• InChiKey: MLCHRNMXZYCJGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  quinoline-6-carboxamide oxime 、 氯甲酸乙酯 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Biedermann, Chemische Berichte, 1889, vol. 22, p. 2764

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 、 盐酸羟胺 、 sodium carbonate 作用下， 生成 quinoline-6-carboxamide oxime
  参考文献：
  名称：

  Biedermann, Chemische Berichte, 1889, vol. 22, p. 2764

  摘要：

  DOI：

文献信息

• HETERO COMPOUND
  申请人：HARADA Hironori

  公开号：US20090076070A1

  公开（公告）日：2009-03-19

  [Problems] To provide a useful compound as an active ingredient for a preventing and/or treating agent for rejection in the transplantation of an organ, bone marrow, or a tissue, an autoimmune disease, or the like, which has an excellent S1P 1 agonist activity. [Means for Solving] Since the compound of the invention has an S1P 1 agonist activity, it is useful as an active ingredient for a treating or preventing agent for a disease caused by unfavorable lymphocytic infiltration, for example, an autoimmune disease such as graft rejection in the transplantation of an organ, bone marrow, or a tissue, a graft-versus-host disease, rheumatic arthritis, multiple sclerosis, systemic lupus erythematosus, a nephrotic syndrome, encephalomeningitis, myasthenia gravis, pancreatitis, hepatitis, nephritis, diabetes, pulmonary disorder, asthma, atopic dermatitis, inflammatory bowel disease, atherosclerosis, ischemia-reperfusion injury, or an inflammatory disease, and further, a disease caused by the abnormal growth or accumulation of cells such as cancer and leukemia.

  [问题] 提供一种有优异S1P1激动剂活性的化合物，作为器官、骨髓或组织移植、自身免疫性疾病等引起的排异的预防和/或治疗剂的有效活性成分。 [解决方法] 由于本发明的化合物具有S1P1激动剂活性，因此可用作治疗或预防由不良淋巴细胞浸润引起的疾病的活性成分，例如器官、骨髓或组织移植的移植排斥、移植物抗宿主病、风湿性关节炎、多发性硬化症、全身性红斑狼疮、肾病综合症、脑脊髓炎、重症肌无力、胰腺炎、肝炎、肾炎、糖尿病、肺部疾病、哮喘、特应性皮炎、炎症性肠病、动脉粥样硬化、缺血再灌注损伤或异常细胞生长或积累引起的癌症和白血病等疾病。
• Discovery of Novel Biphenyl Carboxylic Acid Derivatives as Potent URAT1 Inhibitors
  作者：Xianxin Hou、Yongcheng Wang、Yajun Yang、Zhiyan Xiao

  DOI：10.3390/molecules28217415

  日期：——

  URAT1 inhibitors generally resorts to ligand-based approaches. Two series of biphenyl carboxylic acids were designed based on the structures of URAT1 inhibitors Epaminurad and Telmisartan via a strategy of pharmacophore fusion. Fifty-one novel compounds were synthesized and most of them showed obvious inhibition against human URAT1. A1 and B21 were identified as the most potent URAT1 inhibitors in series

  尿酸盐转运蛋白 1 (URAT1) 是经过临床验证的治疗高尿酸血症和痛风的靶标。由于缺乏蛋白质结构，新型 URAT1 抑制剂的分子设计通常采用基于配体的方法。基于URAT1抑制剂Epaminurad和替米沙坦的结构，通过药效团融合策略设计了两个系列的联苯羧酸。合成了51个新化合物，其中大多数对人URAT1表现出明显的抑制作用。A1 和 B21 分别被确定为 A 系列和 B 系列中最有效的 URAT1 抑制剂。它们的 IC50 值为 0.93 μM 和 0.17 μM，与临床促尿酸排泄药物苯溴马隆相当或优于。结果证实了基于配体的方法在鉴定新型有效的 URAT1 抑制剂方面的有效性。
• US7678820B2
  申请人：——

  公开号：US7678820B2

  公开（公告）日：2010-03-16
• US7951825B2
  申请人：——

  公开号：US7951825B2

  公开（公告）日：2011-05-31
• [EN] AUXINIC HERBICIDES AND METHODS OF USE THEREOF<br/>[FR] HERBICIDES AUXINIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：[en]CORTEVA AGRISCIENCE LLC

  公开号：WO2022170075A1

  公开（公告）日：2022-08-11

  At least some aspects of this disclosure include one or more auxinic herbicides with relatively low volatility. Some of these compounds may be especially useful when used in the process of growing commercially important plants. Methods for using these actives to control the growth and spread of unwanted plants and/or to hasten the growth of desirable plants are also disclosed herein.