[5-({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]benzyl}amino)-1-naphthyl]acetic acid | 1009031-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [5-({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]benzyl}amino)-1-naphthyl]acetic acid
• 英文别名: 2-[5-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
• CAS: 1009031-33-7
• 化学式: C₃₆H₂₇F₃N₂O₂
• 分子量: 576.618
• InChiKey: FMNHPFYLVZKAJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 [5-({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]benzyl}amino)-1-naphthyl]acetic acid
  参考文献：
  名称：

  Carboxylic acid based quinolines as liver X receptor modulators that have LXRβ receptor binding selectivity

  摘要：

  A series of potent and binding selective LXR beta agonists was developed using the previously reported non-selective LXR ligand WAY-254011 as a structural template. With the aid of molecular modeling, it was found that 2,3-diMe-Ph, 2,5-diMe-Ph, and naphthalene substituted quinoline acetic acids (such as quinoline 33, 37, and 38) showed selectivity for LXR beta over LXR alpha in binding assays. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.013

文献信息

• Quinoline Acids
  申请人：Wrobel Jay E.

  公开号：US20090069373A1

  公开（公告）日：2009-03-12

  This invention relates generally to quinoline-based modulators of Liver X receptors (LXRs) and related methods.

  这项发明通常涉及喹啉基调节肝X受体（LXRs）的调节剂和相关方法。
• Treatment and diagnosis of melanoma
  申请人：The Rockefeller University

  公开号：US10543183B2

  公开（公告）日：2020-01-28

  The present invention discloses novel agents and methods for diagnosis and treatment of melanoma. Also disclosed are related arrays, kits, and screening methods.

  本发明公开了用于诊断和治疗黑色素瘤的新型制剂和方法。还公开了相关的阵列、试剂盒和筛选方法。
• TREATMENT OF DRUG RESISTANT CANCER
  申请人：ROCKEFELLER UNIVERSITY (THE)

  公开号：US20150073053A1

  公开（公告）日：2015-03-12

  The present invention discloses novel agents and methods for diagnosis and treatment of melanoma. Also disclosed are related arrays, kits, and screening methods.
• TREATMENT AND DIAGNOSIS OF MELANOMA
  申请人：The Rockefeller University

  公开号：US20160331726A1

  公开（公告）日：2016-11-17

  The present invention discloses novel agents and methods for diagnosis and treatment of melanoma. Also disclosed are related arrays, kits, and screening methods.
• METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS
  申请人：The Rockefeller University

  公开号：US20190029984A1

  公开（公告）日：2019-01-31

  The invention features methods of treating disorders related to increased levels of myeloid derived suppressor cells such as cancer or infections. The disclosure also provides methods of treating cancer including combinations of LXRβ agonists and immunotherapies such as PD1 inhibitors, PDL1 inhibitors, and adoptive T-cell transfer therapy.