7,8-dihydro-8,8-dimethyl-5-p-tolyl-naphthalene-2-carbaldehyde | 692277-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7,8-dihydro-8,8-dimethyl-5-p-tolyl-naphthalene-2-carbaldehyde
• 英文别名: 8,8-dimethyl-5-p-tolyl-7,8-dihydro-2-naphthalene-carbaldehyde；8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalene-2-carbaldehyde
• CAS: 692277-88-6
• 化学式: C₂₀H₂₀O
• 分子量: 276.378
• InChiKey: LLRXTAHMLKNUQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7,8-dihydro-8,8-dimethyl-5-p-tolyl-naphthalene-2-carbaldehyde 在 正丁基锂 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以90%的产率得到1-(8,8-dimethyl-5-p-tolyl-7,8-dihydro-2-naphthyl)-3-trimethylsilanylpropynol
  参考文献：
  名称：

  [EN] NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAF RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS
  [FR] NOUVEAUX LIGANDS QUI SONT DES ANTAGONISTES DES RECEPTEURS RAR, PROCEDE DE PREPARATION DE CES LIGANDS ET UTILISATION DE CES LIGANDS DANS LES DOMAINES DE LA MEDECINE HUMAINE ET DE LA COSMETIQUE

  摘要：

  公开号：

  WO2004046096A3
• 作为产物：
  描述：

  N,N-二甲基甲酰胺 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以60%的产率得到7,8-dihydro-8,8-dimethyl-5-p-tolyl-naphthalene-2-carbaldehyde
  参考文献：
  名称：

  [EN] NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAF RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS
  [FR] NOUVEAUX LIGANDS QUI SONT DES ANTAGONISTES DES RECEPTEURS RAR, PROCEDE DE PREPARATION DE CES LIGANDS ET UTILISATION DE CES LIGANDS DANS LES DOMAINES DE LA MEDECINE HUMAINE ET DE LA COSMETIQUE

  摘要：

  公开号：

  WO2004046096A3

文献信息

• Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof
  申请人：Diaz Philippe

  公开号：US20050234131A1

  公开（公告）日：2005-10-20

  Novel ligand antagonists of the RAR receptors have the following structural formula (1): in which A is a CH 2 , CHOH, C═O or C═N—OH radical or a sulfur or selenium atom; B is a radical selected from among those of formulae (a) to (f): and Ar is a radical selected from among those of formulae (g) to (i):

  RAR受体的新型配体拮抗剂具有以下结构式（1）： 其中，A是CH2，CHOH，C═O或C═N—OH基团或硫或硒原子；B是从式（a）到（f）中选择的基团：Ar是从式（g）到（i）中选择的基团：
• Retinoid receptor subtype-selective modulators through synthetic modifications of RARγ agonists
  作者：Susana Álvarez、Rosana Álvarez、Harshal Khanwalkar、Pierre Germain、Géraldine Lemaire、Fátima Rodríguez-Barrios、Hinrich Gronemeyer、Ángel R. de Lera

  DOI：10.1016/j.bmc.2009.05.035

  日期：2009.7

  A series of retinoids designed to interfere with the repositioning of H12 have been synthesized to identify novel RAR gamma antagonists based on the structure of known RAR gamma agonists. The transcriptional activities of the novel ligands were revealed by cell-based reporting assays, using engineered cells containg RAR subtype-selective fusions of the RAR ligand-binding domains with the yeast GAL4 activator DNA-binding domain and the cognate luciferase reporter gene. Whereas none of the ligands exhibited features of a selective RAR gamma antagonist, some of them are endowed with interesting activities. In particular 24a acts as a pan-RAR agonist that induces at high concentration a higher transactivation potential on RAR alpha than TTNPB and synergizes at low concentration with TTNPB-bound RAR alpha but not RAR beta or RAR gamma. Similarly, 24c synergizes with TTNPB-bound RAR gamma and exhibits RAR alpha,beta antagonist activity. Compounds 24b and 25b are strong RAR alpha,beta-selective antagonists without agonist or antagonist activities for RAR gamma. Compounds 24b and 24c display weak RXR antagonist activity. In addition several pan-antagonists and partial agonist/antagonists have been defined. (C) 2009 Elsevier Ltd. All rights reserved.
• NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS
  申请人：Galderma Research & Development, S.N.C.

  公开号：EP1565433A2

  公开（公告）日：2005-08-24
• US7348449B2
  申请人：——

  公开号：US7348449B2

  公开（公告）日：2008-03-25
• US7592478B2
  申请人：——

  公开号：US7592478B2

  公开（公告）日：2009-09-22