1-(4-羟基苯基)-2-(吡啶-4-基)乙酮 | 412051-26-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-羟基苯基)-2-(吡啶-4-基)乙酮
• 英文名称: 1-(4-hydroxyphenyl)-2-(pyridin-4-yl)ethanone
• 英文别名: 4-pyridyl-4-hydroxy-acetophenone；1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
• CAS: 412051-26-4
• 化学式: C₁₃H₁₁NO₂
• 分子量: 213.236
• InChiKey: IGHCECFXVHADNM-UHFFFAOYSA-N

物化性质

• 沸点：
  431.4±25.0 °C(Predicted)
• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-羟基苯基)-2-(吡啶-4-基)乙酮 在 乙酸铵 、 sodium hydride 、 溶剂黄146 、 二甲基亚砜 作用下， 生成 4-[5-(4-Hydroxy-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidine-1-carboxylic acid benzyl ester
  参考文献：
  名称：

  Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents

  摘要：

  Several analogs of 2,3-diaryl pyrroles were synthesized and evaluated as inhibitors of Eimeria tenella cGMP-dependent protein kinase and in. in vivo anticoccidial assays. A 4-fluorophenyl group enhances both in vitro and in Vivo activities. The most potent analogs are the-5-(N-methyl, N-ethyl, and N-methylazetidine methyl) piperidyl derivatives 12, 23, and 34. These compounds have a broad spectrum of activity. Based on the in vivo efficacy and cost of synthesis, the N-ethyl analog 23 was chosen as a novel anticoccidial agent for a field trial. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.060
• 作为产物：
  描述：

  4-苯甲氧基苯(甲)酰氯 在 10 wt% Pd(OH)2 on carbon 、 氢气 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 二氯甲烷 、 乙基苯 为溶剂， -78.0~20.0 ℃ 、206.85 kPa 条件下， 反应 24.5h， 生成 1-(4-羟基苯基)-2-(吡啶-4-基)乙酮
  参考文献：
  名称：

  RADIOLABELED PDE10A LIGANDS

  摘要：

  公式（I）的化合物已被披露。这些公式（I）的化合物在治疗由PDE10A配体预防或缓解的疾病和疾病中起作用。公式（I）的放射标记化合物也可作为PDE10A正电子发射断层扫描配体的诊断工具。还披露了包括公式（I）化合物的药物组合物、使用这些化合物和组合物的方法，以及制备公式（I）范围内化合物的过程。

  公开号：

  US20130343992A1

文献信息

• Estrogen receptor modulators
  申请人：——

  公开号：US20030225132A1

  公开（公告）日：2003-12-04

  The present invention relates to compounds and derivatives thereof, their synthesis, and their use as estrogen receptor modulators. The compounds of the instant invention are ligands for estrogen receptors and as such may be useful for treatment or prevention of a variety of conditions related to estrogen functioning including: bone loss, bone fractures, osteoporosis, cartilage degeneration, endometriosis, uterine fibroid disease, hot flashes, increased levels of LDL cholesterol, cardiovascular disease, impairment of cognitive functioning, cerebral degenerative disorders, restenosis, gynecomastia, vascular smooth muscle cell proliferation, obesity, incontinence, and cancer, in particular of the breast, uterus and prostate.

  本发明涉及化合物及其衍生物，它们的合成以及它们作为雌激素受体调节剂的用途。本发明的化合物是雌激素受体的配体，因此可能对治疗或预防与雌激素功能相关的多种疾病条件有用，包括：骨质疏松、骨折、骨质疏松症、软骨退化、子宫内膜异位症、子宫肌瘤病、潮热、低密度脂蛋白胆固醇水平升高、心血管疾病、认知功能障碍、脑退行性疾病、再狭窄、男性乳房增大、血管平滑肌细胞增殖、肥胖、尿失禁和癌症，尤其是乳腺、子宫和前列腺癌。
• Radiolabeled PDE10A ligands
  申请人：AbbVie Inc.

  公开号：US09138494B2

  公开（公告）日：2015-09-22

  Compounds of formula (I) are disclosed Compounds of formula (I) are useful in treating conditions and disorders prevented by or ameliorated by PDE10A ligands. Radiolabeled compounds of formula (I) are also useful as diagnostic tools as PDE10A positron emission tomography ligands. Also disclosed are pharmaceutical compositions comprising compound of formula (I), methods for using such compounds and compositions, and a process for preparing compounds within the scope of formula (I).

  本发明揭示了化学式（I）的化合物，这些化合物在治疗由PDE10A配体预防或改善的疾病和疾病方面非常有用。化学式（I）的放射性标记化合物也可用作PDE10A正电子发射断层扫描配体的诊断工具。本发明还揭示了包括化学式（I）化合物的制药组合物，使用这些化合物和组合物的方法，以及制备化学式（I）范围内化合物的过程。
• Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs
  作者：Helen Y. Chen、Seongkon Kim、Jane Y. Wu、Elizabeth T. Birzin、Wanda Chan、Yi Tien Yang、Johanna Dahllund、Frank DiNinno、Susan P. Rohrer、James M. Schaeffer、Milton L. Hammond

  DOI：10.1016/j.bmcl.2004.02.084

  日期：2004.5

  A series of 3-alkyl, 3-cycloalkyl, and 3-heteroaryl dihydrobenzoxathim analogs 1 were prepared and evaluated for estrogen/anti-estrogen activity in both in vitro and in vivo models. In general, the compounds were found to exhibit a high degree of selectivity for ERalpha over ERbeta, but were less potent than the original lead compound la in the inhibition of estradiol-driven uterine proliferation. (C) 2004 Elsevier Ltd. All rights reserved.
• Haroutounian, Serkos A.; Couladouros, Elias A., Liebigs Annalen, 1996, # 7, p. 1139 - 1141
  作者：Haroutounian, Serkos A.、Couladouros, Elias A.

  DOI：——

  日期：——
• US6750213B2
  申请人：——

  公开号：US6750213B2

  公开（公告）日：2004-06-15