2-氯吡啶-4-硫代甲酰胺 | 91447-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯吡啶-4-硫代甲酰胺
• 中文别名: 2-氯硫异烟酰胺
• 英文名称: 2-chloropyridine-4-carbothioamide
• 英文别名: 2-chloro-thioisonicotinic acid amide；2-Chlor-thioisonicotinsaeure-amid；thioamide of 2-chloroisonicotinamide；2-chloroisothionicotinamide
• CAS: 91447-89-1
• 化学式: C₆H₅ClN₂S
• mdl: MFCD10686940
• 分子量: 172.638
• InChiKey: SXOBQZFUVLZZCG-UHFFFAOYSA-N

物化性质

• 熔点：
  174 °C
• 沸点：
  324.8±52.0 °C(Predicted)
• 密度：
  1.424±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-氯吡啶-4-硫代甲酰胺 、 3-(2-溴乙酰基)吡啶氢溴酸盐 在 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 2-(2-methoxypyridin-4-yl)-4-(pyridin-3-yl)thiazole
  参考文献：
  名称：

  Optimization of the aromatase inhibitory activities of pyridylthiazole analogues of resveratrol

  摘要：

  Aromatase is an established target not only for breast cancer chemotherapy, but also for breast cancer chemoprevention. The moderate and non-selective aromatase inhibitory activity of resveratrol (1) was improved about 100-fold by replacement of the ethylenic bridge with a thiadiazole and the phenyl rings with pyridines (e.g., compound 3). The aromatase inhibitory activity was enhanced over 6000-fold by using a 1,3-thiazole as the central ring and modifying the substituents on the 'A' ring to target the Met374 residue of aromatase. On the other hand, targeting the hydroxyl group of Thr310 by a hydrogen-bond acceptor on the 'B' ring did not improve the aromatase inhibitory activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.01.047
• 作为产物：
  描述：

  4-吡啶甲酰胺 在 三乙醇胺 、 乙醇 、 五氯化磷 、 硫化氢 、 双氧水 、 溶剂黄146 、 三氯氧磷 作用下， 生成 2-氯吡啶-4-硫代甲酰胺
  参考文献：
  名称：

  Libermann et al., Bulletin de la Societe Chimique de France, 1958, p. 687,691

  摘要：

  DOI：

文献信息

• Kinase inhibitors
  申请人：Amgen Inc.

  公开号：US20040116388A1

  公开（公告）日：2004-06-17

  The invention relates to inhibitors of enzymes that bind to ATP or GTP and/or catalyze phosphoryl transfer, compositions comprising the inhibitors, and methods of using the inhibitors and inhibitor compositions. The inhibitors and compositions comprising them are useful for treating disease or disease symptoms. The invention also provides for methods of making phosphoryl transferase inhibitor compounds, methods of inhibiting phosphoryl transferase activity, and methods for treating disease or disease symptoms.

  这项发明涉及与ATP或GTP结合并/或催化磷酸转移的酶的抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包含它们的组合物对治疗疾病或疾病症状是有用的。该发明还提供了制备磷酸转移酶抑制剂化合物的方法，抑制磷酸转移酶活性的方法，以及治疗疾病或疾病症状的方法。
• Pyrid-2-one derivatives and methods of use
  申请人：——

  公开号：US20040147561A1

  公开（公告）日：2004-07-29

  Selected compounds are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving stroke, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于治疗疾病，如细胞增殖或凋亡介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物，以及用于预防和治疗涉及中风、癌症等疾病和其他疾病或病况的药物组合物和方法。该主题发明还涉及制备此类化合物的方法，以及在这些过程中有用的中间体。
• [EN] N-PHENYL- ' (4-PYRIDYL)- AZINYL!AMINE DERIVATIVES AS PLANT PROTECTION AGENTS<br/>[FR] DERIVES DE N-PHENYL- (4-PYRIDYL)-AZINYL!AMINE COMME AGENTS PROTECTEURS DE PLANTES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004084634A1

  公开（公告）日：2004-10-07

  The use of fungicidal compounds of formula Ijwherein A and A' are both N or A and A' are both CH or A is CH and A' is N; j is 0 or 1 and the R groups are as defined in claim 1; their preparation and compositions 10 comprising the compunds.

  其中A和A'都是N或者A和A'都是CH或者A是CH且A'是N；j为0或1，R基团如权利要求书中定义的那样；它们的制备和包含该化合物的组合物。
• N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents
  申请人：Ackermann Peter

  公开号：US20070032490A1

  公开（公告）日：2007-02-08

  The use of fungicidal compounds of formula I j wherein A and A′ are both N or A and A′ are both CH or A is CH and A′ is N; j is 0 or 1 and the R groups are as defined in claim 1 ; their preparation and compositions 10 comprising the compunds.

  使用式Ij的杀真菌化合物，其中A和A'都是N或A和A'都是CH或A是CH而A'是N；j为0或1，R基如权利要求1中所定义；它们的制备和包含这些化合物的组合物。
• CYANOTRIAZOLE COMPOUNDS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20160229816A1

  公开（公告）日：2016-08-11

  This invention relates to a cyanotriazole compound represented by the formula (1): wherein each symbols are defined in the specification, or a salt thereof. The compound or a salt thereof stimulates the citric acid cycle activity and/or improves hyperglycemia with less side effects, and excellent safety, and therefore, it is useful for treating and/or preventing diseases or disorders on which citric acid cycle activation and/or improvement of hyperglycemia has a prophylactic and/or therapeutic effect, for example, diabetes, impaired glucose tolerance, insulin resistance, diabetic complications, obesity, dyslipidemia, hepatic steatosis, atherosclerosis and/or cardiovascular disease, as well as diseases or disorders that would benefit from stimulating energy expenditure.

  本发明涉及一种由式（1）表示的氰基三唑化合物，其中每个符号在规范中有定义，或其盐。该化合物或其盐刺激柠檬酸循环活性和/或改善高血糖症的副作用较小，安全性优异，因此，它对于治疗和/或预防柠檬酸循环激活和/或改善高血糖症具有预防和/或治疗作用的疾病或疾病具有用处，例如糖尿病、糖耐量受损、胰岛素抵抗、糖尿病并发症、肥胖症、血脂异常、脂肪肝、动脉粥样硬化和/或心血管疾病，以及那些从刺激能量消耗中受益的疾病或疾病。