4-碘-3-甲基苯甲醇 | 959632-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-碘-3-甲基苯甲醇
• 英文名称: (4-iodo-3-methylphenyl)methanol
• 英文别名: (4-iodo-3-methyl-phenyl)-methanol
• CAS: 959632-18-9
• 化学式: C₈H₉IO
• 分子量: 248.063
• InChiKey: GKVHYRRQQVUDKB-UHFFFAOYSA-N

物化性质

• 沸点：
  281.4±25.0 °C(Predicted)
• 密度：
  1.751±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-碘-3-甲基苯甲醇 在 盐酸 、 1,3-双(二苯基膦)丙烷 、 palladium diacetate 、 tetra-N-butylammonium tribromide 、 三溴化磷 、 potassium carbonate 、 caesium carbonate 、 lithium chloride 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[2-(4-bromomethyl-2-methyl-phenyl)-2-oxo-ethyl]-5-(5-chloro-pyridin-2-ylmethoxy)-2H-pyridazin-3-one
  参考文献：
  名称：

  Design, synthesis and evaluation of MCH receptor 1 antagonists—Part III: Discovery of pre-clinical development candidate BI 186908

  摘要：

  Although overweight and obesity are highly prevalent conditions, options to treat them are still very limited. As part of our search for safe and effective MCH-R1 antagonists for the treatment of obesity, two series of pyridones and pyridazinones were evaluated. Optimization was aimed at improving DMPK properties by increasing metabolic stability and improving the safety profile by reducing inhibition of the hERG channel and reducing the potential to induce phospholipidosis. Steric shielding of a labile keto moiety with an ortho-methyl group and fine-tuning of the polarity in several parts of the molecule resulted in BI 186908 (11g), a potent and selective MCH-R1 antagonist with favorable DMPK and CMC properties. Chronic administration of BI 186908 resulted in significant body weight reduction comparable to sibutramine in a 4 week diet-induced obesity model in rats. Based on its favorable safety profile, BI 186908 was advanced to pre-clinical development. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.065
• 作为产物：
  描述：

  1-(2-异丙基苯基)-2-硫脲 在 dimethyl sulfide borane 、 甲醇 、 乙酸乙酯 、 水 、 Brine 、 Sodium sulfate-III 、 ethyl acetate n-hexane 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以to afford the title compound as white solid (4.7 g, 95%)的产率得到4-碘-3-甲基苯甲醇
  参考文献：
  名称：

  FXR agonists

  摘要：

  公式中变量的化合物及其药物组合物和使用方法被披露为治疗血脂异常和相关疾病的有用药物。

  公开号：

  US07846960B2

文献信息

• NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
  申请人：OOST Thorsten

  公开号：US20130237515A1

  公开（公告）日：2013-09-12

  The present invention relates to compounds of general formula I, wherein the groups R 1 , R 2 , L 1 , L 2 , U and B are as defined in the application, which have valuable pharmacological properties, and in particular modulate the activity of the MCH receptor.

  本发明涉及一般式I的化合物，其中基团R1、R2、L1、L2、U和B如申请中所定义，具有有价值的药理特性，特别是调节MCH受体的活性。
• [EN] PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH - RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE PYRIDINONE ET PYRIDAZINONE EN TANT QUE MODULATEURS DU RÉCEPTEUR DE MCH
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013131935A1

  公开（公告）日：2013-09-12

  The present invention relates to compounds of general formula I, wherein the groups R1, R2, L1, L2, U and B are as defined in the application, which have valuable pharmacological properties, and in particular modulate the activity of the MCH receptor.

  本发明涉及一般式I的化合物，其中R1、R2、L1、L2、U和B组分如申请中所定义，具有有价值的药理特性，特别是调节MCH受体活性。
• MODULATORS OF S1P RECEPTORS
  申请人：Sinha Santosh C.

  公开号：US20120129906A1

  公开（公告）日：2012-05-24

  The present invention relates to novel diphenylethyne derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.

  本发明涉及新型二苯基乙炔衍生物，制备它们的方法，含有它们的药物组合物以及它们作为调节鞘氨醇-1-磷酸酯受体的药物的用途。
• FXR AGONISTS
  申请人：Bell Michael Gregory

  公开号：US20090270460A1

  公开（公告）日：2009-10-29

  Compounds of formula wherein variables are as defined herein and their pharmaceutical compositions and methods of use are disclosed as useful for treating dyslipidemia and related diseases.

  本发明公开了化学式为所定义变量的化合物及其制药组合物和使用方法，用于治疗血脂异常及相关疾病。
• COMPOUNDS AND METHODS FOR MODULATING FXR
  申请人：Bell Michael Gregory

  公开号：US20090093524A1

  公开（公告）日：2009-04-09

  Compounds of formula (I) wherein variables are as defined herein and their pharmaceutical compositions and methods of use are disclosed as useful for treating dyslipidemia and related diseases.

  公式（I）的化合物在此定义的变量下披露，它们的制药组合物和使用方法被用于治疗血脂异常和相关疾病。