LG100567 | 178600-19-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: LG100567
• 英文别名: (2E, 4E, 6E)-7-(3,5-di-t-butylphenyl)-3-methylocta-2,4,6-trienoic acid；(2E,4E,6Z)-7-(3,5-di-t-butylphenyl)-3-methylocta-2,4,6-trienoic acid；(2E,4E,6Z)-7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid
• CAS: 178600-19-6
• 化学式: C₂₃H₃₂O₂
• 分子量: 340.506
• InChiKey: JMPZTWDLOGTBPM-XRYBSMBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-甲基-4-膦酰丁烯酸三乙酯 在 sodium hydroxide 、 正丁基锂 作用下， 以 甲醇 为溶剂， 反应 0.42h， 生成 LG100567
  参考文献：
  名称：

  Discovery of Novel Retinoic Acid Receptor Agonists Having Potent Antiproliferative Activity in Cervical Cancer Cells

  摘要：

  Retinoic acid receptor (RAR) active retinoids have proven therapeutically useful for treating certain cancers and dermatological diseases. Herein, we describe the discovery of two new RAR active trienoic acid retinoids, (2E,4E,6E)-7-(3,5-di-tert-butylphenyl)-3-methylocta-2,4,6-trienoic acid (10a, ALRT1550) and (2E,4E,6Z)-7-(3,5-di-tert-butylphenyl)-3-methylocta-2,4,6-trienoic acid (10b, LG100567). ALRT1550 is a RAR selective retinoid which exhibits exceptional potency in both competitive binding and cotransfection assays. Moreover, it is the most potent antiproliferative retinoid described to date and thus has implications for the treatment of certain cancers. LG100567 is a potent panagonist which activates both RARs and retinoid X receptors.

  DOI：

  10.1021/jm960285j

文献信息

• Method for the treatment or prevention of dermatological disorders with a cyclooxygenase-2 inhibitor alone and in combination with a dermatological treatment agent and compositions therewith
  申请人：Pulaski P. Steven

  公开号：US20050014729A1

  公开（公告）日：2005-01-20

  A method for preventing or treating dermatological disorders and dermatological disorder-related complications in a subject involves a monotherapy with a Cox-2 inhibitor or a combination therapy with a Cox-2 inhibitor and a dermatological treatment agent. Also described are therapeutic compositions comprising a Cox-2 inhibitor and a dermatological treatment agent. Pharmaceutical compositions and kits for implementing the present method are also described.

  一种预防或治疗受试者的皮肤病和与皮肤病相关并发症的方法涉及使用Cox-2抑制剂进行单独治疗或与Cox-2抑制剂和皮肤治疗剂的联合治疗。还描述了包含Cox-2抑制剂和皮肤治疗剂的治疗组合物。还描述了用于实施本方法的药物组合物和工具包。
• NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS
  申请人：LIGAND PHARMACEUTICALS, INC.

  公开号：EP0800503A1

  公开（公告）日：1997-10-15
• USE OF THE CYCLOOXYGENASE-2 INHIBITOR CELECOXIB AND CAPECITABINE FOR COMBINATION THERAPY IN NEOPLASIA
  申请人：G.D. Searle LLC

  公开号：EP1140192B1

  公开（公告）日：2006-04-05
• [EN] METHOD FOR THE TREATMENT OR PREVENTION OF DERMATOLOGICAL DISORDERS WITH A CYCLOOXYGENASE-2 INHIBITOR ALONE AND IN COMBINATION WITH A DERMATOLOGICAL TREATMENT AGENT AND COMPOSITIONS THEREWITH<br/>[FR] METHODE DE TRAITEMENT OU DE PREVENTION DE TROUBLES DERMATOLOGIQUES A L'AIDE D'UN SEUL INHIBITEUR DE LA CYCLOOXYGENASE-2 OU EN COMBINAISON AVEC UN AGENT DE TRAITEMENT DERMATOLOGIQUE, ET COMPOSITIONS CONTENANT CEUX-CI
  申请人：PHARMACIA CORP

  公开号：WO2005009342A2

  公开（公告）日：2005-02-03

  A method for preventing or treating dermatological disorders and dermatological disorder-related complications in a subject involves a monotherapy with a Cox-2 inhibitor or a combination therapy with a Cox-2 inhibitor and a dermatological treatment agent. Also described are therapeutic compositions comprising a Cox-2 inhibitor and a dermatological treatment agent. Pharmaceutical compositions and kits for implementing the present method are also described.
• Discovery of Novel Retinoic Acid Receptor Agonists Having Potent Antiproliferative Activity in Cervical Cancer Cells
  作者：Lin Zhang、Alex M. Nadzan、Richard A. Heyman、Deborah L. Love、Dale E. Mais、Glenn Croston、William W. Lamph、Marcus F. Boehm

  DOI：10.1021/jm960285j

  日期：1996.1.1

  Retinoic acid receptor (RAR) active retinoids have proven therapeutically useful for treating certain cancers and dermatological diseases. Herein, we describe the discovery of two new RAR active trienoic acid retinoids, (2E,4E,6E)-7-(3,5-di-tert-butylphenyl)-3-methylocta-2,4,6-trienoic acid (10a, ALRT1550) and (2E,4E,6Z)-7-(3,5-di-tert-butylphenyl)-3-methylocta-2,4,6-trienoic acid (10b, LG100567). ALRT1550 is a RAR selective retinoid which exhibits exceptional potency in both competitive binding and cotransfection assays. Moreover, it is the most potent antiproliferative retinoid described to date and thus has implications for the treatment of certain cancers. LG100567 is a potent panagonist which activates both RARs and retinoid X receptors.