4-tributylstannyl-1-trityl-1H-pyrazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-tributylstannyl-1-trityl-1H-pyrazole
• 化学式: C₃₄H₄₄N₂Sn
• 分子量: 599.447
• InChiKey: QLEDFBHSSRYHFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.78
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-tributylstannyl-1-trityl-1H-pyrazole 生成 6-bromo-4-(1-trityl-1H-pyrazol-4-yl)quinazoline
  参考文献：
  名称：

  NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF

  摘要：

  公开号：

  EP1382603B1

文献信息

• Imidazol-4-ylmehanols and their use as inhibitors of steroid C17-20 lyase
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06649643B1

  公开（公告）日：2003-11-18

  Imidazol-4-ylmethanols and their uses for preventing and treating primary tumors, metastasis and recurrence of tumors, various symptoms accompanying tumors, prostatic hypertrophy, virilism, hirsutism, male pattern alopecia, precocious puberty, endometriosis, uterine myoma, mastopathy and polycystic ovary syndrome are disclosed.

  Imidazol-4-ylmethanols及其用于预防和治疗原发性肿瘤、肿瘤转移和复发、伴随肿瘤的各种症状、前列腺肥大、男性化、多毛症、男性型脱发、性早熟、子宫内膜异位症、子宫肌瘤、乳腺病和多囊卵巢综合征的用途被披露。
• Discovery of novel heat shock protein (Hsp90) inhibitors based on luminespib with potent antitumor activity
  作者：Juyoung Jung、Jinsun Kwon、Soojung Hong、An-Na Moon、Jinah Jeong、Sungwook Kwon、Jeong-ah Kim、Myoungjae Lee、Hongsub Lee、Jin Hee Lee、Jeewoo Lee

  DOI：10.1016/j.bmcl.2020.127165

  日期：2020.6

  new scaffolds of the Hsp90 inhibitor for the discovery of novel antitumor agents. Among the synthesized surrogates of isoxazole and pyrazole, compounds 4a, 5e and 12b exhibited potent Hsp90 inhibition in ATPase activity and Her2 degradation assays and significant antitumor activity in A2780 and HCT116 cell lines. Animal studies indicated that compared to luminespib, their activities were superior in A2780

  作为新发现的Hsp90抑制剂的支架，研究了Luminespib中一系列4-苯基的等排代孕替代物，以发现新型抗肿瘤药。在合成的异恶唑和吡唑替代物中，化合物4a，5e和12b在ATPase活性和Her2降解分析中表现出对Hsp90的有效抑制作用，在A2780和HCT116细胞系中表现出显着的抗肿瘤活性。动物研究表明，与luminespib相比，它们的活性在A2780或NCI-H1975肿瘤异种移植模型中更为出色。分子建模研究表明，化合物4a可以很好地适合N末端ATP的结合口袋。
• Antiinflammation agents
  申请人：Tularik Inc.

  公开号：US20040097485A1

  公开（公告）日：2004-05-20

  Compounds, compositions and methods that are useful in the treatment of inflammatory, immunoregulatory, metabolic, infectious and cell proliferative diseases or conditions are provided herein. In particular, the invention provides compounds which modulate the expression and/or function of proteins involved in inflammation, metabolism, infection and cell proliferation. The subject compounds contain a fused heterobicyclic ring.

  本文提供了在治疗炎症、免疫调节、代谢、感染和细胞增殖性疾病或状况中有用的化合物、组合物和方法。具体而言，本发明提供了调节参与炎症、代谢、感染和细胞增殖的蛋白质的表达和/或功能的化合物。所述化合物包含一个融合的异双环环。
• [EN] 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE<br/>[FR] DERIVES DE 2-PYRIDONE UTILISES EN TANT Q'INHIBITEURS DE L'ELASTASE NEUTROPHILE ET UTILISATIONS DE CEUX-CI
  申请人：ASTRAZENECA AB

  公开号：WO2005026123A1

  公开（公告）日：2005-03-24

  There are provided novel compounds of formula (I), wherein R1, R2, R4, R5, G1, G2, L, Y and n are as defined in the Specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of neutrophil elastase.

  提供了化合物的新结构，其化学式为（I），其中R1、R2、R4、R5、G1、G2、L、Y和n的定义如说明书中所述，以及其光学异构体、消旋体和互变异构体，以及其药学上可接受的盐；还包括它们的制备方法、含有它们的组合物以及它们在治疗中的应用。这些化合物是中性粒细胞弹性蛋白酶的抑制剂。
• Synthesis of charged bis-heteroaryl donor–acceptor (D–A+) NLO-phores coupling (π-deficient–π-excessive) heteroaromatic rings
  作者：Marco Antonio Ramirez、Raul Custodio、Ana M. Cuadro、Julio Alvarez-Builla、Koen Clays、Inge Asselberghs、Francisco Mendicuti、Obis Castaño、José L. Andrés、Juan J. Vaquero

  DOI：10.1039/c3ob41159a

  日期：——

  were prepared by reaction of alkylazinium salts with N-heteroarylstannanes under Stille conditions. This approach provides easy access to potential single donor D–A+ chromophores in which the acceptor moiety A+ is the pyridinium cation and the donors are different π-excessive N-heterocycles. The β hyperpolarizabilities were measured in hyper-Rayleigh scattering experiments and the experimental data are

  通过在Stille条件下使烷基叠氮盐与N-杂芳基锡烷反应，制备了基于杂芳族阳离子的带电发色团。这种方法使潜在的单一供体D–A +生色团易于获得，其中受体部分A +为吡啶鎓阳离子，且供体为不同的π过量N-杂环。该β超极化率在超瑞利散射实验中进行了测量，并且实验数据得到了理论分析的支持，该理论分析结合了多种计算程序，包括密度泛函理论和相关的基于Hartree-Fock的方法。在某些生色团中，供体和受体片段之间不存在桥，会增加NLO性质。