1-(3,4-Dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,4-Dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
• 化学式: C₁₈H₁₈N₄O₃S
• 分子量: 370.432
• InChiKey: KDNZZZPJDJBEQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  溴代-3,4-二甲氧基苯乙酮 、 1-对甲苯基-1H-四唑-5-硫醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以38 %的产率得到1-(3,4-Dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO
  [FR] COMPOSITIONS ET MÉTHODES POUR INHIBER LA LIAISON DE CARP-1 À NEMO

  摘要：

  The present disclosure is concerned with compounds and compositions for use in the prevention and treatment of cancer such as, for example, a primary or secondary tumor within a subject's brain, breast, kidney, pancreas, lung, colon, prostate, lymphatic system, liver, ovary, or cervix. Additional examples of cancers for which the disclosed compounds and compositions can be useful include, but are not limited to, sarcomas, carcinomas, hematological cancers, solid tumors, breast cancer, cervical cancer, gastrointestinal cancer, colorectal cancer, brain cancer, skin cancer, prostate cancer, ovarian cancer, thyroid cancer, testicular cancer, pancreatic cancer, liver cancer, endometrial cancer, melanomas, gliomas, leukemia, lymphoma, chronic myeloproliferative disorders, myelodysplastic syndrome, myeloproliferative neoplasm, non-small cell lung carcinomas, and plasma cell neoplasms (myelomas). This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  公开号：

  WO2023201374A1

文献信息

• Modulation of 11β-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles
  作者：Scott P. Webster、Margaret Binnie、Kirsty M.M. McConnell、Karen Sooy、Peter Ward、Michael F. Greaney、Andy Vinter、T. David Pallin、Hazel J. Dyke、Matthew I.A. Gill、Ines Warner、Jonathan R. Seckl、Brian R. Walker

  DOI：10.1016/j.bmcl.2010.04.055

  日期：2010.6

  Inhibitors of 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11 beta-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess good cellular potency in human and murine 11 beta-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. (C) 2010 Elsevier Ltd. All rights reserved.
• [EN] 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS<br/>[FR] TETRAZOLES 1,5-SUBSTITUÉS EN TANT QUE COMPOSÉS THÉRAPEUTIQUES
  申请人：UNIV EDINBURGH

  公开号：WO2007029021A1

  公开（公告）日：2007-03-15

  [EN] The present invention pertains to certain 1,5-substituted-1H-tetrazole compounds that, inter alia, inhibit 11ß- hydroxysteroid dehydrogenase type 1 (11ß-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, bothin vitro and in vivo, to inhibit 11ß-hydroxysteroid dehydrogenase type 1; to treat conditions that are ameliorated by the inhibition of 11ß-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes conditions such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS conditions such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.
  [FR] La présente invention concerne certains composés 1H-tétrazole 1,5 substitués qui, notamment, inhibent la 11ß-hydroxystéroïde déshydrogénase de type 1(11ß-HSD1). Cette invention concerne également des compositions pharmaceutiques comprenant ces composés et l'utilisation de ces composés et compositions, tant in vitro qu'in vivo, afin d'inhiber la 11ß-hydroxystéroïde déshydrogénase de type 1; afin de traiter des pathologies atténuées par l'inhibition de la 11ß-hydroxystéroïde déshydrogénase de type 1; afin de traiter le syndrome métabolique, qui inclut des affections telles que le diabète de type 2 et l'obésité, ainsi que des pathologies associées, notamment l'insulinorésistance, l'hypertension, les troubles lipidiques et les pathologies cardiovasculaires telles que les maladies cardiaques ischémiques (coronariennes) ; afin de traiter des affections du SNC telles que le déficit cognitif léger et la démence précoce, y compris la maladie d'Alzheimer; etc.