2-氰基吡啶-4-硼酸 | 903513-60-0

• 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-氰基吡啶-4-硼酸
• 英文名称: (2-cyanopyridin-4-yl)boronic acid
• CAS: 903513-60-0
• 化学式: C₆H₅BN₂O₂
• mdl: MFCD10696640
• 分子量: 147.929
• InChiKey: MSBPWGHYNOCHGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.54
• 重原子数：
  11
• 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：
  77.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-iodo-5-(1-methyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine 、 2-氰基吡啶-4-硼酸 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 以34 mg的产率得到4-(5-(1-methyl-1H-pyrazol-4-yl)-1-p-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)picolinonitrile
  参考文献：
  名称：

  Lead Optimization of 3,5-Disubstituted-7-Azaindoles for the Treatment of Human African Trypanosomiasis

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00674

文献信息

• [EN] SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS<br/>[FR] COMPOSÉS DE SULFONIMIDAMIDE EN TANT QUE MODULATEURS DE NLRP3
  申请人：GENENTECH INC

  公开号：WO2021150574A1

  公开（公告）日：2021-07-29

  Described herein are compounds of Formula (I), Formula (I-A), and Formula (I-B), solvates thereof, tautomers thereof, and pharmaceutically acceptable salts of the foregoing, Further described herein are methods of inhibiting NLRP3 using said compounds, and methods of and compositions useful in treating NLRP3-dependent disorders.

  本文描述了式(I)、式(I-A)和式(I-B)的化合物，以及它们的溶剂化物、互变异构体和上述化合物的药用可接受盐，此外，本文还描述了使用这些化合物抑制NLRP3的方法，以及用于治疗NLRP3依赖性疾病的方法和组合物。
• Chemical Compounds
  申请人：Chai Deping

  公开号：US20130225524A1

  公开（公告）日：2013-08-29

  The invention is directed to substituted quinoline derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are defined herein. The compounds of the invention are inhibitors of lactate dehydrogenase A and can be useful in the treatment of cancer and diseases associated with tumor cell metabolism, such as cancer, and more specifically cancers of the breast, colon, prostate and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting lactate dehydrogenase A activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代喹啉衍生物。具体而言，本发明涉及公式I的化合物：其中R1，R2，R3，R4和R5在此定义。本发明的化合物是乳酸脱氢酶A的抑制剂，可用于治疗癌症和与肿瘤细胞代谢相关的疾病，例如乳腺癌、结肠癌、前列腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制乳酸脱氢酶A活性和治疗与之相关的疾病的方法。
• Discovery of Novel Dual Adenosine A2A and A1 Receptor Antagonists with 1H-Pyrazolo[3,4-d]pyrimidin-6-amine Core Scaffold as Anti-Parkinson’s Disease Agents
  作者：Juyoung Jung、Yoonsuk Lee、An-Na Moon、Jihyae Ann、Jin Ju Jeong、Nayeon Do、Jeewoo Lee

  DOI：10.3390/ph15080922

  日期：——

  New compounds with 1H-pyrazolo [3,4-d]pyrimidin-6-amine core scaffolds were synthesized and characterized in vitro to determine their affinity for human A2A and A1 receptors. Among the tested compounds, a few compounds displayed nanomolar binding affinities for both receptors. One particular compound, 11o, showed high binding activities (hA2A Ki = 13.3 nM; hA1 Ki = 55 nM) and full antagonism (hA2A IC50 = 136 nM; hA1 IC50 = 98.8 nM) toward both receptors. Further tests showed that 11o has low hepatic clearance and good pharmacokinetic properties in mice, along with high bioavailability and a high brain plasma ratio. In addition, 11o was associated with very low cardiovascular risk and mutagenic potential, and was well-tolerated in rats and dogs. When tested in an MPTP-induced mouse model of Parkinson’s disease, 11o tended to improve behavior. Moreover, 11o dose-dependently reversed haloperidol-induced catalepsy in female rats, with graded ED50 of between 3 and 10 mg/kg. Taken together, these results suggest that this potent dual A2A/A1 receptor antagonist, 11o, is a good candidate for the treatment of Parkinson’s disease with an excellent metabolic and safety profile.

  合成了具有1H-吡唑并[3,4-d]嘧啶-6-胺核心支架的新化合物，并在体外进行了表征，以确定它们与人类A2A和A1受体的亲和力。在测试的化合物中，有几种化合物对两种受体显示出纳摩尔级的结合亲和力。一种特定的化合物，11o，显示出高结合活性（hA2A Ki = 13.3 nM; hA1 Ki = 55 nM）和完全的拮抗作用（hA2A IC50 = 136 nM; hA1 IC50 = 98.8 nM）对两种受体。进一步的测试表明，11o在小鼠中具有低肝清除率和良好的药代动力学特性，以及高生物利用度和高脑血浆比。此外，11o与非常低的心血管风险和致突变潜力相关，并在大鼠和狗中耐受良好。在MPTP诱导的帕金森病小鼠模型中测试时，11o倾向于改善行为。此外，11o在雌性大鼠中剂量依赖性地逆转了氟哌啶醇引起的痉挛，其ED50为3至10 mg/kg。综上所述，这种强效的双重A2A/A1受体拮抗剂11o是治疗帕金森病的良好候选药物，具有优秀的代谢和安全性。
• WO2021007477A5
  申请人：——

  公开号：WO2021007477A5

  公开（公告）日：2023-07-19