4-氯-6-(1H-1,2,4-噻唑-1-基)嘧啶 | 135948-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氯-6-(1H-1,2,4-噻唑-1-基)嘧啶
• 英文名称: 4-chloro-6-(1H-1,2,4-triazol-1-yl)pyrimidine
• 英文别名: 4-chloro-6-(1,2,4-triazol-1-yl)pyrimidine
• CAS: 135948-75-3
• 化学式: C₆H₄ClN₅
• 分子量: 181.584
• InChiKey: CNKRSOSVASHQSV-UHFFFAOYSA-N

物化性质

• 沸点：
  394.3±52.0 °C(Predicted)
• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 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：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氯-6-(1H-1,2,4-噻唑-1-基)嘧啶 在 氨 作用下， 以 异丙醇 为溶剂， 反应 18.0h， 以96%的产率得到6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-amine
  参考文献：
  名称：

  BMS-933043, a Selective α7 nAChR Partial Agonist for the Treatment of Cognitive Deficits Associated with Schizophrenia

  摘要：

  The therapeutic treatment of negative symptoms and cognitive dysfunction associated with schizophrenia is a significant unmet medical need. Preclinical literature indicates that a? neuronal nicotinic acetylcholine (nACh) receptor agonists may provide an effective approach to treating cognitive dysfunction in schizophrenia. We report herein the discovery and evaluation of 1c (BMS-933043), a novel and potent alpha 7 nACh receptor partial agonist with high selectivity against other nicotinic acetylcholine receptor subtypes (>100-fold) and the 5-HT3A receptor (>300-fold). In vivo activity was demonstrated in a preclinical model of cognitive impairment, mouse novel object recognition. BMS-933043 has completed Phase I clinical trials.

  DOI：

  10.1021/acsmedchemlett.7b00032
• 作为产物：
  描述：

  1H-1,2,4-三唑 、 4,6-二氯嘧啶 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 4-氯-6-(1H-1,2,4-噻唑-1-基)嘧啶
  参考文献：
  名称：

  NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES

  摘要：

  本发明涉及化合物和方法，用作蛋白激酶的抑制剂，包括B-Raf以及几种受体酪氨酸激酶和细胞质酪氨酸激酶。本发明涉及新的取代嘧啶氧基脲化合物II、III和IV的配方及其作为药物治疗疾病的应用。还提供了在人类或动物主体中调节蛋白激酶活性的方法，用于治疗癌症等疾病。

  公开号：

  US20070155764A1

文献信息

• [EN] QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] COMPOSÉ DE QUINUCLIDINE COMME LIGANDS DU RÉCEPTEUR NICOTINIQUE ALPHA-7 DE L'ACÉTYLCHOLINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011053292A1

  公开（公告）日：2011-05-05

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic 7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  该披露提供了公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物是烟碱7受体的配体，可能对治疗中枢神经系统的各种紊乱，特别是情感和神经退行性疾病有用。
• NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES
  申请人：Lang Hengyuan

  公开号：US20070155764A1

  公开（公告）日：2007-07-05

  The present invention relates to compounds and methods useful as inhibitors of protein kinases, including B-Raf and several receptor tyrosine and cytoplasmic tyrosine kinases. The present invention is directed to new substituted pyrimidinyloxy urea compounds of Formulas II, III and IV and compositions and their application as pharmaceuticals for the treatment of disease. Methods of modulating of protein kinase activity in a human or animal subject are also provided for the treatment diseases such as cancers.

  本发明涉及化合物和方法，用作蛋白激酶的抑制剂，包括B-Raf以及几种受体酪氨酸激酶和细胞质酪氨酸激酶。本发明涉及新的取代嘧啶氧基脲化合物II、III和IV的配方及其作为药物治疗疾病的应用。还提供了在人类或动物主体中调节蛋白激酶活性的方法，用于治疗癌症等疾病。
• Fungicides
  申请人：Imperial Chemical Industries PLC

  公开号：US05179098A1

  公开（公告）日：1993-01-12

  Fungicidal compounds having the formula (I): ##STR1## in which any two of K, L and M are nitrogen and the other is CH; and X is an optionally substituted 3- to 6-membered heterocyclic ring containing at least one trivalent nitrogen atom by which it is attached to the central pyrimidine ring.

  具有以下结构式（I）的杀真菌化合物：##STR1## 其中K、L和M中的任意两个是氮，另一个是CH；X是一个可选择地取代的3至6元杂环，至少含有一个三价氮原子，通过这个原子与中心嘧啶环相连。
• Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands
  申请人：Cook, II James H.

  公开号：US20100099684A1

  公开（公告）日：2010-04-22

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands for the nicotinic α7 receptor and may be useful for the treatment of various disorders of the central nervous system, especially affective and neurodegenerative disorders.

  本公开提供公式I的化合物，包括其盐，以及使用这些化合物的组合物和方法。这些化合物是尼古丁α7受体的配体，可能对中枢神经系统的各种疾病，特别是情感和神经退行性疾病的治疗有用。
• CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE
  申请人：Ng Simon C.

  公开号：US20100130490A1

  公开（公告）日：2010-05-27

  Benzoxazole and benzothiazole compounds and their oxides, esters, prodrugs, solvates, and pharmaceutically acceptable salts thereof are disclosed. Compositions of the compounds, either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier, and uses of the compounds, either alone or in combination with at least one additional therapeutic agent are also disclosed. The embodiments are useful for inhibiting cellular proliferation, inhibiting the growth and/or metathesis of tumors, treating or preventing cancer, treating or preventing degenerating bone diseases such as rheumatoid arthritis, and/or inhibiting molecules such as CSF 1R.

  本发明公开了苯并噁唑和苯并噻唑化合物及其氧化物、酯、前药、溶剂化物和药学上可接受的盐。本发明还公开了该化合物的组合物，其可以单独使用或与至少一种额外治疗剂联合使用，并与药学上可接受的载体一起使用。该实施例可用于抑制细胞增殖，抑制肿瘤的生长和/或代谢，治疗或预防癌症，治疗或预防退变性骨疾病，如类风湿性关节炎，并/或抑制分子，如CSF 1R。