4-丁-3-炔基吡啶 | 103440-64-8

• 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: 4-丁-3-炔基吡啶
• 英文名称: 4-(but-3-yn-1-yl)pyridine
• 英文别名: 4-Pyridyl-(4)-butin-(1)；4-but-3-ynyl-pyridine；4-But-3-inyl-pyridin；4-but-3-ynylpyridine
• CAS: 103440-64-8
• 化学式: C₉H₉N
• mdl: MFCD18632758
• 分子量: 131.177
• InChiKey: ZXWXCOLGKAUTAT-UHFFFAOYSA-N

物化性质

• 熔点：
  40.5 °C
• 沸点：
  114-115 °C(Press: 14 Torr)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-丁-3-炔基吡啶 在 mercury-salt 、 水 作用下， 生成 4-(pyridin-4-yl)butan-2-one
  参考文献：
  名称：

  Miocque, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1948, vol. 247, p. 1470

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(4-(trimethylsilyl)but-3-yn-1-yl)pyridine 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以64 mg的产率得到4-丁-3-炔基吡啶
  参考文献：
  名称：

  Systematic Variation of Pyrrolobenzodiazepine (PBD)-Dimer Payload Physicochemical Properties Impacts Efficacy and Tolerability of the Corresponding Antibody–Drug Conjugates

  摘要：

  Cytotoxic pyrrolobenzodiazepine (PBD)-dimer molecules are frequently utilized as payloads for antibody-drug conjugates (ADCs), and many examples are currently in clinical development. In order to further explore this ADC payload class, the physicochemical properties of various PBD-dimer molecules were modified by the systematic introduction of acidic and basic moieties into their chemical structures. The impact of these changes on DNA binding, cell membrane permeability, and in vitro antiproliferation potency was, respectively, determined using a DNA alkylation assay, PAMPA assessments, and cell-based cytotoxicity measurements conducted with a variety of cancer lines. The modified PBD-dimer compounds were subsequently incorporated into CD22-targeting ADCs, and these entities were profiled in a variety of in vitro and in vivo experiments. The introduction of a strongly basic moiety into the PBD-dimer scaffold afforded a conjugate with dramatically worsened mouse tolerability properties relative to ADCs derived from related payloads, which lacked the basic group.

  DOI：

  10.1021/acs.jmedchem.0c00691

文献信息

• Compounds and methods
  申请人：Kallander S. Lara

  公开号：US20050143578A1

  公开（公告）日：2005-06-30

  Disclosed are compounds of the formula: wherein the formula variables are as defined herein. The compounds of this invention are non-peptide, reversible inhibitors of type 2 methionine aminopeptidase. Also disclosed is the use of such compounds in treating conditions mediated by angiogenesis, such as cancer, haemangioma, proliferative retinopathy, rheumatoid arthritis, atherosclerotic neovascularization, psoriasis, ocular neovascularization and obesity.

  本发明公开了以下式子的化合物：其中，式子中的变量如此处所定义。本发明的化合物是非肽类、可逆的二型蛋氨酸肽酶抑制剂。还公开了在治疗由血管生成介导的疾病，如癌症、血管瘤、增生性视网膜病变、类风湿性关节炎、动脉粥样硬化性新生血管、牛皮癣、眼部新生血管和肥胖症中使用这种化合物的方法。
• Miocque, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1958, vol. 247, p. 1470
  作者：Miocque

  DOI：——

  日期：——