(1-pentyl-1H-[1,2,3]triazol-4-yl)-methanol | 57134-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1-pentyl-1H-[1,2,3]triazol-4-yl)-methanol
• 英文别名: (1-Pentyltriazol-4-yl)methanol
• CAS: 57134-63-1
• 化学式: C₈H₁₅N₃O
• 分子量: 169.227
• InChiKey: DYGYDLGRPUBYQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-溴-1,3,7-三甲基嘌呤-2,6-二酮 、 (1-pentyl-1H-[1,2,3]triazol-4-yl)-methanol 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 以60 %的产率得到1,3,7-trimethyl-8-((1-pentyl-1H-1,2,3-triazol-4-yl)methoxy)-1H-purine-2,6(3H,7H)-dione
  参考文献：
  名称：

  Design, synthesis, anticancer and in silico assessment of 8-caffeinyl-triazolylmethoxy hybrid conjugates

  摘要：

  对 8-咖啡酰基-三唑甲氧基杂化共轭物的设计、合成、抗癌、对接和硅学评估进行了说明。这些化合物对恶性肿瘤和乳腺癌细胞系具有显著的活性。

  DOI：

  10.1039/d2ra07683g
• 作为产物：
  描述：

  戊基叠氮化物 、 2-丙炔-1-醇 在 copper(l) iodide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (1-pentyl-1H-[1,2,3]triazol-4-yl)-methanol
  参考文献：
  名称：

  Design, synthesis, anticancer and in silico assessment of 8-caffeinyl-triazolylmethoxy hybrid conjugates

  摘要：

  对 8-咖啡酰基-三唑甲氧基杂化共轭物的设计、合成、抗癌、对接和硅学评估进行了说明。这些化合物对恶性肿瘤和乳腺癌细胞系具有显著的活性。

  DOI：

  10.1039/d2ra07683g

文献信息

• Tikhonova, L. G.; Serebryakova, E. S.; Maksikova, A. V., Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, p. 1244 - 1248
  作者：Tikhonova, L. G.、Serebryakova, E. S.、Maksikova, A. V.、Chernysheva, G. V.、Vereshchagin, L. I.

  DOI：——

  日期：——
• TSYPIN G. I.; TIMOFEEVA T. N.; MELNIKOV V. V.; GIDASPOV B. V., ZH. ORGAN. XIMII <ZORS-AE>, 1975, HO 7, 1395-1400
  作者：TSYPIN G. I.、 TIMOFEEVA T. N.、 MELNIKOV V. V.、 GIDASPOV B. V.

  DOI：——

  日期：——
• COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS
  申请人：MODERNATX, Inc.

  公开号：US20170224844A1

  公开（公告）日：2017-08-10

  The disclosure features novel lipids and compositions involving the same. Nanoparticle compositions include a novel lipid as well as additional lipids such as phospholipids, structural lipids, and PEG lipids. Nanoparticle compositions further including therapeutic and/or prophylactics such as RNA are useful in the delivery of therapeutic and/or prophylactics to mammalian cells or organs to, for example, regulate polypeptide, protein, or gene expression.
• [EN] BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS<br/>[FR] MOLÉCULES BIFONCTIONNELLES À ACTIVITÉ DE RECRUTEMENT D'ANTICORPS ET D'INHIBITION D'ENTRÉE DIRIGÉES CONTRE LE VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：UNIV YALE

  公开号：WO2011046946A2

  公开（公告）日：2011-04-21

  The present invention is directed to new bifunctional compounds and methods for treating HIV infections. The bifunctional small molecules, generally referred to as ARM-H' function through orthogonal pathways, by inhibiting the gp120-CD4 interaction, and by recruiting anti-DNP antibodies to gp120-expressing cells, thereby preventing cell infection and spread of HIV. It has been shown that ARM-H's bind to gp120 and gp-120 expressing cells competitively with CD4, thereby decreasing viral infectivity as shown by an MT-2 cell assay, the binding leading to formation of a ternary complex by recruiting anti-DNP antibodies to bind thereto, the antibodies present in the ternary complex promoting the complement-dependent destruction of the gp120-expressing cells. Compounds and methods are described herein.
• Design, synthesis, anticancer and <i>in silico</i> assessment of 8-caffeinyl-triazolylmethoxy hybrid conjugates
  作者：Mohammad Navid Soltani Rad、Somayeh Behrouz、Saleh Aghajani、Marzieh Behrouz、Elham Zarenezhad、Ali Ghanbariasad

  DOI：10.1039/d2ra07683g

  日期：——

  Design, synthesis, anticancer, docking and in silico assessment for 8-caffeinyl-triazolylmethoxy hybrid conjugates are explained. These compounds have remarkable activities against malanoma and breast cancer cell lines.

  对 8-咖啡酰基-三唑甲氧基杂化共轭物的设计、合成、抗癌、对接和硅学评估进行了说明。这些化合物对恶性肿瘤和乳腺癌细胞系具有显著的活性。