4-(5,5,8,8-四甲基-6,7-二氢蒽-2-基)苯甲酸 | 107430-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-(5,5,8,8-四甲基-6,7-二氢蒽-2-基)苯甲酸
• 中文别名: 铅(2+)异十八烷酸酯
• 英文名称: 4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid
• 英文别名: p-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)-benzoic acid；4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)benzoic acid
• CAS: 107430-51-3
• 化学式: C₂₅H₂₆O₂
• 分子量: 358.48
• InChiKey: KBUHKLGVLUHYJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  4-(5,5,8,8-四甲基-6,7-二氢蒽-2-基)苯甲酸 、 potassium tartrate 在 LiAlH4 、 sodium 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以57%的产率得到p-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl) benzyl alcohol
  参考文献：
  名称：

  Polycyclic aromatic derivatives, process for preparing the same and

  摘要：

  具有以下结构式##STR1##的多环芳香化合物及其盐在治疗银屑病方面具有有用的治疗和美容作用。在该结构式中，X代表--CH.dbd.CH--，O或S，R.sub.1代表氢，具有3-15个碳原子的支链烷基，具有1-6个碳原子的烷氧基或1-金刚烷基，R.sub.2代表羟基，氢，具有1-15个碳原子的直链或支链烷基或具有1-6个碳原子的烷氧基，但要求R.sub.1和R.sub.2不能同时为氢，或者R.sub.1和R.sub.2连同萘环的相邻碳原子形成一个可选择由至少一个较低烷基基团取代的5或6链环，或者由一个氧原子中断，R.sub.3代表--CH.sub.2 OH或--COR.sub.4，或者当R.sub.1和R.sub.2连在一起形成一个5或6链环时，R.sub.3代表--CH.sub.3，R.sub.4代表--OR.sub.5或##STR2##，R.sub.5代表氢，具有1-20个碳原子的烷基，单羟基烷基，多羟基烷基，芳基或芳基烷基，可选择取代，或者糖的残基或基团##STR3##，p为1、2或3，r'和r"代表氢，较低烷基，单羟基烷基，多羟基烷基，可选择取代的芳基或氨基酸的残基或氨基糖的残基，或者连在一起形成一个杂环。

  公开号：

  US05124473A1
• 作为产物：
  描述：

  4-溴苯甲酸乙酯 在 氢氧化钾 、 三氯化铝 作用下， 以 甲醇 、 二硫化碳 为溶剂， 反应 1.0h， 生成 4-(5,5,8,8-四甲基-6,7-二氢蒽-2-基)苯甲酸
  参考文献：
  名称：

  Effect of structural modifications in the C7-C11 region of the retinoid skeleton on biological activity in a series of aromatic retinoids

  摘要：

  A series of conformationally restricted analogues of (E)-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)propenyl ] benzoic acid--(E)-4-[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2 - propenyl]benzoic acid, (E)-4-[3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-bu ten- 2-yl]benzoic acid, trans-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl) cyclopropyl]benzoic acid, 4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid, 6-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2- naphthalenecarboxylic acid, 6-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-2- naphthalenecarboxylic acid and 6-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-5-methyl-2- naphthalenecarboxylic acid--were synthesized and screened for retinoid biological activity. Comparison of the conformers of these analogues generated by molecular mechanics calculations with the biological activity profiles of these compounds indicates that geometric constraints required for high biological activity are imposed on the bridge joining the two aromatic ring systems by the retinoid receptor.

  DOI：

  10.1021/jm00127a018

文献信息

• Use of retinoids for preventing and reducing the size of striae distensae lesions
  申请人：Kligman, Albert M.

  公开号：EP0415458A2

  公开（公告）日：1991-03-06

  Striae distensae lesions may be prevented and/or reduced in size by topically applying to the skin affected with the lesions an effective amount of a retinoid, preferably retinoic acid, preferably by daily application in a dermatologically acceptable vehicle, such as a cream base, at a concentration of about 0.025 to 0.1 weight percent retinoic acid. When applied during the striae rubrae stage, the retinoid may be effective to prevent the formation of striae albae lesions, and when applied in either stage, the retinoid may be effective to reduce the width and depth of the lesions, with improved texture and softness.

  可通过在受皮损影响的皮肤上局部施用有效量的维甲酸（最好是维甲酸）来防止和/或缩小红斑皮损，维甲酸的浓度最好为 0.025 至 0.1 重量百分比。在红斑期施用时，维甲酸可有效防止白斑的形成；在任何一个阶段施用时，维甲酸可有效减少皮损的宽度和深度，并改善质地和柔软度。
• Methods for treating multiple osteochondroma (MO)
  申请人：Clementia Pharmaceuticals Inc.

  公开号：US10980778B2

  公开（公告）日：2021-04-20

  The invention features methods for inhibiting the formation, reducing the size, and slowing the growth of an osteochondroma in a subject with multiple osteochondroma (MO) by administering to the subject palovarotene (also known as R667), or a pharmaceutically acceptable salt thereof. The methods described herein can also ameliorate complications associated with osteochondroma formation and growth in a subject with MO.

  本发明的特点是通过向多发性骨软骨瘤（MO）患者施用帕罗伐汀（又称 R667）或其药学上可接受的盐，抑制骨软骨瘤的形成、减小其大小并减缓其生长。本文所述的方法还可以改善与MO患者骨软骨瘤形成和生长相关的并发症。
• Combination of an arsenic compound and at least one retinoid for treating acute myeloid leukemia
  申请人：INSERM (Institut National de la Sante et de la Recherche Medicale)

  公开号：US11077139B2

  公开（公告）日：2021-08-03

  The present invention relates to methods and pharmaceutical compositions for the treatment of acute myeloid leukemia. In particular, the present invention relates to a method for treating NPM-1-driven acute myeloid leukemia (AML) in a subject in need thereof comprising administering the subject with a therapeutically effective amount of at least one arsenic compound and with a therapeutically effective amount of at least one retinoid.

  本发明涉及治疗急性髓性白血病的方法和药物组合物。特别是，本发明涉及一种治疗NPM-1驱动的急性髓性白血病（AML）的方法，该方法包括向需要治疗的受试者施用治疗有效量的至少一种砷化合物和治疗有效量的至少一种维甲酸。
• Use of retinoids to treat high blood pressure and other cardiovascular disease
  申请人：——

  公开号：US20030008919A1

  公开（公告）日：2003-01-09

  This invention provides methods of treating a disease in a mammal where the disease is characterized by a symptom ameliorated by inhibition of cellular calcium influx. The methods involve administering to the mammal an effective amount of a retinoid and a pharmacologically acceptable excipient.

  本发明提供了治疗哺乳动物疾病的方法，该疾病的特征是通过抑制细胞钙离子流入而改善症状。这些方法包括向哺乳动物施用有效量的维甲酸和药理学上可接受的赋形剂。
• DAWSON, MARCIA I.;HOBBS, PETER D.;DERDZINSKI, KRZYSZTOF A.;CHAO, WAN-RU;F+, J. MED. CHEM., 32,(1989) N, C. 1504-1517
  作者：DAWSON, MARCIA I.、HOBBS, PETER D.、DERDZINSKI, KRZYSZTOF A.、CHAO, WAN-RU、F+

  DOI：——

  日期：——