1-(pyridin-4-yl)propan-1-ol | 23389-76-6

• 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
• 英文名称: 1-(pyridin-4-yl)propan-1-ol
• 英文别名: (rac)-1-(pyridin-4-yl)propan-1-ol；4-hydroxypropylpyridine；1-pyridin-4-ylpropan-1-ol
• CAS: 23389-76-6
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: ZKMCKIAZUYILRN-UHFFFAOYSA-N

物化性质

• 沸点：
  150-152 °C(Press: 13 Torr)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-(pyridin-4-yl)propan-1-ol 在 potassium permanganate 、 magnesium sulfate 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 生成 4-丙酰吡啶
  参考文献：
  名称：

  Comparative inhibition of tetrameric carbonyl reductase activity in pig heart cytosol by alkyl 4-pyridyl ketones

  摘要：

  Context and objective: The present study is to elucidate the comparative inhibition of tetrameric carbonyl reductase (TCBR) activity by alkyl 4-pyridyl ketones, and to characterize its substrate-binding domain.Materials and methods: The inhibitory effects of alkyl 4-pyridyl ketones on the stereoselective reduction of 4-benzoylpyridine (4-BP) catalyzed by TCBR were examined in the cytosolic fraction of pig heart.Results: Of alkyl 4-pyridyl ketones, 4-hexanoylpyridine, which has a straight-chain alkyl group of five carbon atoms, inhibited most potently TCBR activity and was a competitive inhibitor. Furthermore, cyclohexyl pentyl ketone, which is substituted by cyclohexyl group instead of phenyl group of hexanophenone, had much lower ability to be reduced than hexanophenone.Discussion and conclusion: These results suggest that in addition to a hydrophobic cleft corresponding to a straight-chain alkyl group of five carbon atoms, a hydrophobic pocket with affinity for an aromatic group is located in the substrate-binding domain of TCBR.

  DOI：

  10.3109/14756366.2013.790021
• 作为产物：
  描述：

  4-正丙基吡啶 在 (S)-2-[3]pyridyl-pyrrolidine-1-carboxylic acid amide 、 sodium phosphate buffer 、 Α-D-吡喃葡萄糖6-磷酸 、 烟酰胺腺嘌呤双核苷酸磷酸盐 、 magnesium chloride 作用下， 以 水 为溶剂， 反应 1.0h， 以9%的产率得到1-(pyridin-4-yl)propan-1-ol
  参考文献：
  名称：

  Biotransformation of Phenyl- and Pyridylalkane Derivatives in Rat Liver 9,000xg Supernatant (S-9)

  摘要：

  When phenylpropanes were incubated with phenobarbital-pretreated rat liver 9,000xg supernatant (S-9), oxidative hydroxylation occurred to give phenylpropanol (racemic), (1R, 2S)- and (1R, 2R)-phenylpropanediols, (2S)-hydroxyphenylpropanone. Incubation of pyridylethane and propane with S-9 afforded alpha-pyridylethanol and propanol, but those were optically inactive. During the incubation of 1-phenylpropanone, an asymmetric redox reaction simultaneously occurred to give (2S)-phenylpropanol, (1R, 2S)- or (1R, 2R)-phenylpropanediols and (2R)- hydroxyphenylpropanone. Acetylpyridines were enantioselectively reduced to afford alpha-pyridylethanols in high optical yields (94-98%ee). The oxidation of pyridylalkane was significantly inhibited by cytochrome P-450 inhibitor (SKF-525A), but reduction of acetylpyridines was not inhibited. Thus, cytochrome P-450 was found to be responsible for the oxidation of pyridylalkane, but not for the reduction of the ketone.

  DOI：

  10.3987/com-95-s92

文献信息

• Chiral 2-(2-hydroxyaryl)alcohols (HAROLs) with a 1,4-diol scaffold as a new family of ligands and organocatalysts
  作者：Ömer Dilek、Mustafa A. Tezeren、Tahir Tilki、Erkan Ertürk

  DOI：10.1016/j.tet.2017.11.054

  日期：2018.1

  Efficient and modular syntheses of chiral 2-(2-hydroxyaryl)alcohols (HAROLs), novel 1,4-diols carrying one phenolic and one alcohol hydroxyl group, have been developed which led to generation of a small library of structurally diverse HAROLs in enantiomerically pure form. Of the different HAROLs examined, a HAROL based on the indan backbone exhibited the highest activity and enantioselectivity in the

  高效和模块化的手性2-（2-羟基芳基）醇（HAROLs）的合成，带有一个酚和一个醇羟基的新型1,4-二醇已被开发出来，这导致在对映异构体中生成结构多样的HAROLS小文库纯形式。在考察的不同HAROL中，基于茚满骨架的HAROL在Ti（O i Pr）4（y高达97％， 88％ee）并在三田膦的促进下在Morita-Baylis-Hillman反应中作为氢键供体有机催化剂发挥作用。
• [EN] NEW COMPOUNDS AND USES THEREOF FOR DETECTION OF TARGET MOLECULES IN A SAMPLE<br/>[FR] NOUVEAUX COMPOSÉS ET LEURS UTILISATIONS POUR LA DÉTECTION DE MOLÉCULES CIBLES DANS UN ÉCHANTILLON
  申请人：UNIV GENEVE

  公开号：WO2018069470A1

  公开（公告）日：2018-04-19

  The present invention relates to new profluorophores and conjugates thereof and their use for the detection of target molecule in a sample, in particular nucleic acid target molecules. The invention relates to new profluorophores and new fluorophores and methods of use thereof particularly useful in the fields of diagnostics and quality control.

  本发明涉及新的前荧光体及其共轭物，以及它们用于检测样本中的目标分子，特别是核酸目标分子的用途。发明涉及新的前荧光体和新的荧光体及其使用方法，特别是在诊断和质量控制领域的应用。
• Methods of treating cytokine mediated diseases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030130309A1

  公开（公告）日：2003-07-10

  Disclosed are methods of treating certain cytokine mediated diseases or conditions using novel aromatic heterocyclic compounds of the formula(I) wherein Ar 1 ,Ar 2 ,L,Q and X are described herein. 1

  披露了使用公式(I)中描述的新芳香杂环化合物治疗特定细胞因子介导的疾病或症状的方法，其中Ar1，Ar2，L，Q和X如下所述。
• Substituted 3-cyanoquinolines
  申请人：American Cyanamid Company

  公开号：US06288082B1

  公开（公告）日：2001-09-11

  This invention provides compounds of formula I having the structure wherein G1, G2, R1, R4, Z, n, and X are defined in the specification or a pharmaceutically acceptable salt thereof which are useful as antineoplastic agents and in the treatment of polycystic kidney disease.

  这项发明提供了具有结构的化合物I的公式，其中G1、G2、R1、R4、Z、n和X在规范中定义，或其药用盐，这些化合物可用作抗肿瘤剂，并用于多囊肾病的治疗。
• [EN] PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE LA PIPÉRIDINONE EN TANT QU'INHIBITEURS DE MDM2 POUR LE TRAITEMENT DU CANCER
  申请人：AMGEN INC

  公开号：WO2011153509A1

  公开（公告）日：2011-12-08

  The present invention provides MDM2 inhibitor compounds of Formula (I), wherein the variables are defined above, which compounds are useful as therapeutic agents, particularly for the treatment of cancers. The present invention also relates to pharmaceutical compositions that contain an MDM2 inhibitor.

  本发明提供了式（I）的MDM2抑制剂化合物，其中变量如上所定义，这些化合物可用作治疗剂，特别是用于癌症的治疗。本发明还涉及含有MDM2抑制剂的药物组合物。