3,5-dimethyl-4-(3'-iso-propyl-4'-methoxyphenoxy)benzaldehyde | 322472-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-dimethyl-4-(3'-iso-propyl-4'-methoxyphenoxy)benzaldehyde
• 英文别名: 4-(3-isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-benzaldehyde；4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzaldehyde
• CAS: 322472-55-9
• 化学式: C₁₉H₂₂O₃
• 分子量: 298.382
• InChiKey: NTTZJMZICJYHTF-UHFFFAOYSA-N

物化性质

• 沸点：
  409.2±45.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-dimethyl-4-(3'-iso-propyl-4'-methoxyphenoxy)benzaldehyde 在 sodium tetrahydroborate 、 硫酸 、 三溴化磷 、 乙酰氯 作用下， 以 甲醇 、 乙二醇二甲醚 、 乙醇 、 水 、 溶剂黄146 为溶剂， 反应 20.5h， 生成 methyl 3,5-dimethyl-4-(3'-iso-propyl-4'-methoxyphenoxy)phenylacetate
  参考文献：
  名称：

  [EN] NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS
  [FR] NOUVELLES SUBSTANCES THYROMIMETIQUES CONTENANT DU PHOSPHORE

  摘要：

  公开号：

  WO2005051298A3
• 作为产物：
  描述：

  3,5-二甲基-4-羟基苯甲醛 、 bis(3-isopropyl-4-methoxyphenyl)iodonium tetrafluoroborate 在 铜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以100%的产率得到3,5-dimethyl-4-(3'-iso-propyl-4'-methoxyphenoxy)benzaldehyde
  参考文献：
  名称：

  Novel Phosphinic Acid-Containing Thyromimetics

  摘要：

  本发明涉及含有磷酸基T3拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟

  公开号：

  US20090028925A1

文献信息

• Thyroid receptor ligands
  申请人：——

  公开号：US20010051645A1

  公开（公告）日：2001-12-13

  The invention provides thiazolidinedione, oxadiazolidinedione, and triazolone compounds of Formula (I) which compounds are thyroid receptor ligands. 1 The invention further provides pharmaceutical compositions and kits comprising such compounds and methods of treating obesity, overweight condition, hyperlipidemia, glaucoma, cardiac arrhythmias, skin disorders, thyroid disease, hypothyroidism, thyroid cancer, diabetes, atherosclerosis, hypertension, coronary heart disease, congestive heart failure, hypercholesterolemia, depression, and osteoporosis using such compounds.

  该发明提供了化合物的噻唑烷二酮，噁唑烷二酮和三唑酮的化合物（I）的公式，这些化合物是甲状腺受体配体。该发明还提供了包含这些化合物的药物组合物和试剂盒，以及使用这些化合物治疗肥胖，超重症，高脂血症，青光眼，心律失常，皮肤疾病，甲状腺疾病，甲状腺功能减退症，甲状腺癌，糖尿病，动脉粥样硬化，高血压，冠心病，充血性心力衰竭，高胆固醇血症，抑郁症和骨质疏松症的方法。
• Novel Phosphorus-Containing Thyromimetics
  申请人：Erion Mark D.

  公开号：US20100081634A1

  公开（公告）日：2010-04-01

  The present invention relates to compounds of phosphonic acid-containing T3 mimetics and monoesters thereof, stereoisomers, pharmaceutically acceptable salts, co-crystals, and prodrugs thereof and pharmaceutically acceptable salts and co-crystals of the prodrugs, as well as their preparation and uses for preventing and/or treating metabolic diseases such as obesity, NASH, hypercholesterolemia and hyperlipidemia, as well as associated conditions such as atherosclerosis, coronary heart disease, impaired glucose tolerance, metabolic syndrome x and diabetes.

  本发明涉及含有膦酸的T3模拟物化合物及其单酯、立体异构体、药学上可接受的盐、共晶体和前药及其药学上可接受的盐和共晶体，以及它们的制备和用于预防和/或治疗代谢性疾病，如肥胖症、NASH、高胆固醇血症和高脂血症，以及相关疾病，如动脉粥样硬化、冠心病、糖耐量受损、代谢综合征X和糖尿病的用途。
• Novel phosphorus-containing thyromimetics
  申请人：Erion D. Mark

  公开号：US20060046980A1

  公开（公告）日：2006-03-02

  The present invention relates to compounds of phosphonic acid-containing T3 mimetics and monoesters thereof, stereoisomers, pharmaceutically acceptable salts, co-crystals, and prodrugs thereof and pharmaceutically acceptable salts and co-crystals of the prodrugs, as well as their preparation and uses for preventing and/or treating metabolic diseases such as obesity, NASH, hypercholesterolemia and hyperlipidemia, as well as associated conditions such as atherosclerosis, coronary heart disease, impaired glucose tolerance, metabolic syndrome x and diabetes.

  本发明涉及含有膦酸基的T3类似物化合物及其单酯体、立体异构体、药学上可接受的盐、共晶体和其前药物，以及前药物的药学上可接受的盐和共晶体，以及它们的制备和用于预防和/或治疗代谢性疾病，如肥胖症、NASH、高胆固醇血症和高脂血症，以及相关疾病，如动脉粥样硬化、冠心病、糖耐量受损、代谢综合征x和糖尿病。
• Phosphorus-containing thyromimetics
  申请人：Metabasis Therapeutics, Inc.

  公开号：US07514419B2

  公开（公告）日：2009-04-07

  The present invention relates to compounds of phosphonic acid-containing T3 mimetics and monoesters thereof, stereoisomers, pharmaceutically acceptable salts, co-crystals, and prodrugs thereof and pharmaceutically acceptable salts and co-crystals of the prodrugs, as well as their preparation and uses for preventing and/or treating metabolic diseases such as obesity, NASH, hypercholesterolemia and hyperlipidemia, as well as associated conditions such as atherosclerosis, coronary heart disease, impaired glucose tolerance, metabolic syndrome x and diabetes.

  本发明涉及含有膦酸的T3类似物和其单酯化合物、立体异构体、药学上可接受的盐、共晶体以及其前药和前药的药学上可接受的盐和共晶体，以及它们的制备和用于预防和/或治疗代谢性疾病，如肥胖症、NASH、高胆固醇血症和高脂血症，以及相关疾病，如动脉粥样硬化、冠心病、糖耐量受损、代谢综合征和糖尿病的用途。
• Novel heterocyclic thyromimetics. Part 2
  作者：Helmut Haning、Ulrich Mueller、Gunter Schmidt、Carsten Schmeck、Verena Voehringer、Axel Kretschmer、Hilmar Bischoff

  DOI：10.1016/j.bmcl.2007.04.085

  日期：2007.7

  Novel heterocyclic thyromimetics are presented carrying carboxy-substituted benzofurans or sulfur containing heterocycles, as replacements for the amino acid side chain of T3. Potent agonists were identified in both series. SAR trends are examined and found to be mostly consistent with previously published thyromimetics. The lack of isoform selectivity demonstrated with isoform-selective transient THR transfection assays has been confirmed by corresponding in vivo studies. (C) 2007 Elsevier Ltd. All rights reserved.