3-(2-羟基乙基)-alpha-皮考啉 | 1977-05-5

• 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: 3-(2-羟基乙基)-alpha-皮考啉
• 英文名称: 2-(2-methylpyridin-3-yl)ethanol
• 英文别名: 2-<3-(2-methylpyridyl)>ethanol；2-(2-methyl-pyridin-3-yl)-ethanol；2-(2-Methyl-[3]pyridyl)-aethanol；2-Methyl-3-<2-hydroxy-ethyl>-pyridin；2-Methyl-3-(β-hydroxyethyl)-pyridin；2-Methyl-3-(2-hydroxy-ethyl)-pyridin
• CAS: 1977-05-5
• 化学式: C₈H₁₁NO
• mdl: MFCD03411349
• 分子量: 137.181
• InChiKey: MFPDJTXHKIFPNP-UHFFFAOYSA-N

物化性质

• 熔点：
  129 °C
• 沸点：
  125 °C(Press: 3 Torr)
• 密度：
  1.061±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于二氯甲烷、乙醚、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-羟基乙基)-alpha-皮考啉 在 氢溴酸 、 异丙醇 作用下， 生成 1-(2-butyl-6-oxo-1,6-dihydro-pyrimidin-5-ylmethyl)-3-(2-hydroxy-ethyl)-2-methyl-pyridinium; bromide hydrobromide
  参考文献：
  名称：

  Dornow; Hargesheimer, Chemische Berichte, 1955, vol. 88, p. 1478,1483

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-甲基-[3]吡啶基)-乙酸酰胺 在 硫酸 、 水 、 phosphorus pentoxide 、 铂 、 sodium nitrite 作用下， 生成 3-(2-羟基乙基)-alpha-皮考啉
  参考文献：
  名称：

  Dornow; Schacht, Chemische Berichte, 1949, vol. 82, p. 117,119

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS ET MÉTHODES
  申请人：TEMPERO PHARMACEUTICALS INC

  公开号：WO2013019621A1

  公开（公告）日：2013-02-07

  The present invention relates to novel retinoid-related orphan receptor gamma (RORy) modulators and their use in the treatment of diseases mediated by RORy.

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂及其在治疗由RORγ介导的疾病中的应用。
• Human Caliciviruses Are a Significant Pathogen of Acute Sporadic Diarrhea in Children of Santiago, Chile
  作者：Miguel L. O'Ryan、Nora Mamani、Aldo Gaggero、Luis Fidel Avendaño、Susana Prieto、Alfredo Peña、Xi Jiang、David O. Matson

  DOI：10.1086/315874

  日期：2000.11

  Human caliciviruses (HuCVs) are increasingly recognized as common pathogens that cause acute sporadic diarrhea in children; however, regional antigenic and genetic diversity complicate detection techniques. Stool samples from children seeking medical attention in 2 outpatient clinics, a large emergency department, and 2 hospital wards were evaluated for HuCVs by reverse transcription—polymerase chain reaction, using primers based on a conserved sequence of the polymerase region of a previously sequenced Chilean strain. HuCVs were detected in 53 (8%) of 684 children 1 month to 5 years of age (mean, 13 months). Detection occurred year-round without a clear seasonal peak, and detection frequency declined from 16% in 1997 to 2% in 1999. The decline may have been due to a change in virus genotype. HuCVs are a significant pathogen of acute sporadic diarrhea in Chilean children, and continuous characterization of genetic diversity will be crucial for appropriate detection.

  人杯状病毒（HuCVs）作为一种常见的病原体，导致儿童急性散发性腹泻的作用日益受到重视；然而，其抗原性和遗传学的区域多样性复杂化了检测技术。本研究采用逆转录-聚合酶链反应，以基于先前智利分离株的聚合酶区域保守序列设计的引物，对两所门诊诊所、一家大型急诊科和两家医院病房中因病就诊的儿童粪便样本进行了HuCVs检测。在684名1个月至5岁的儿童中（平均年龄13个月），有53名（8%）检出HuCVs。检测全年均有发生，无明显季节高峰，且检出频率从1997年的16%下降至1999年的2%。这种下降可能归因于病毒基因型的改变。HuCVs是智利儿童急性散发性腹泻的重要病原体，而持续对遗传多样性进行表征对于正确检测至关重要。
• Probing riboswitch–ligand interactions using thiamine pyrophosphate analogues
  作者：Liuhong Chen、Elena Cressina、Neil Dixon、Karl Erixon、Kwasi Agyei-Owusu、Jason Micklefield、Alison G. Smith、Chris Abell、Finian J. Leeper

  DOI：10.1039/c2ob07116a

  日期：——

  The Escherichia coli thiM riboswitch forms specific contacts with its natural ligand, thiamine pyrophosphate (TPP or thiamine diphosphate), allowing it to generate not only nanomolar binding affinity, but also a high degree of discrimination against similar small molecules. A range of synthetic TPP analogues have been used to probe each of the riboswitch–ligand interactions. The results show that the pyrimidine-sensing helix of thiM is exquisitely tuned to select for TPP by recognising the H-bonding donor and acceptors around its aminopyrimidine ring and also by forming π-stacking interactions that may be sensitive to the electronics of the ring. The central thiazolium ring of TPP appears to be more important for ligand recognition than previously thought. It may contribute to binding via long-range electrostatic interactions and/or by exerting an electron withdrawing effect on the pyrimidine ring, allowing its presence to be sensed indirectly and thereby allowing discrimination between thiamine (and its phosphate esters) and other aminopyrimidines found in vivo. The pyrophosphate moiety is essential for submicromolar binding affinity, but unexpectedly, it does not appear to be strictly necessary for modulation of gene expression.

  大肠杆菌中的thiM核糖开关能够与其天然配体硫胺素焦磷酸（TPP或硫胺素二磷酸）形成特异性接触，不仅能够产生纳摩尔级的结合亲和力，还能对类似的小分子展现出高度选择性。一系列合成的TPP类似物被用来探究核糖开关与配体之间的相互作用。结果显示，thiM的嘧啶感知螺旋经过精妙调整，通过识别其氨基嘧啶环周围的氢键供体和受体，以及可能对环电子性质敏感的π堆积相互作用，来选择TPP。TPP的中心噻唑环在配体识别中的重要性似乎比之前认为的更高。它可能通过长程静电相互作用和/或通过对嘧啶环施加电子 withdrawing 效应来促进结合，使得其存在能够被间接感知，从而在体内区分硫胺素（及其磷酸酯）与其他氨基嘧啶。焦磷酸部分对于亚微摩尔级的结合亲和力至关重要，但出乎意料的是，它似乎并不严格需要调控基因表达。
• Neo-pyrithiamin
  作者：R. F. Raffauf

  DOI：10.1002/hlca.19500330118

  日期：——

  Einige Verbesserungen für die Synthese von Zwischenprodukten zur Herstellung des Neo-pyrithiamins werden beschrieben.

  描述了用于制备新吡啶硫胺的中间体的合成的一些改进。
• Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension
  申请人：——

  公开号：US20040142952A1

  公开（公告）日：2004-07-22

  The present invention provides triazoloquinazoline and pyrazolotriazolopyrimidine derivatives represented by the following general formula (1): 1 wherein R 1 and R 2 represent the same groups as those described in the description; and A represents a pyrazole or benzene ring which is optionally substituted with the groups described in the description. These derivatives exhibit an affinity to an adenosine A3 receptor and also have an intraocular-pressure reducing effect, and are useful for prevention or treatment of glaucoma.

  本发明提供了由下列通式（1）表示的三唑喹噁啉和吡唑三唑并嘧啶衍生物： 其中，R1和R2表示与说明中描述的相同的基团；A表示可选地取代了说明中描述的基团的吡唑或苯环。这些衍生物表现出对腺苷A3受体的亲和力，并具有降低眼内压的作用，可用于预防或治疗青光眼。