(Z)-5-(2'-(3'-hydroxymethylthienylmethylidene))-1,2-dihydro-10-methoxy-2,2,4-trimethyl-9-(triisopropylsilyl)oxy-5H-chromeno[3,4-f]quinoline | 864056-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (Z)-5-(2'-(3'-hydroxymethylthienylmethylidene))-1,2-dihydro-10-methoxy-2,2,4-trimethyl-9-(triisopropylsilyl)oxy-5H-chromeno[3,4-f]quinoline
• 英文别名: [2-[(Z)-[10-methoxy-2,2,4-trimethyl-9-tri(propan-2-yl)silyloxy-1H-chromeno[3,4-f]quinolin-5-ylidene]methyl]thiophen-3-yl]methanol
• CAS: 864056-15-5
• 化学式: C₃₅H₄₅NO₄SSi
• 分子量: 603.898
• InChiKey: PHTBTMLGKUEZOO-RHANQZHGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.97
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  88.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (Z)-5-(2'-(3'-hydroxymethylthienylmethylidene))-1,2-dihydro-10-methoxy-2,2,4-trimethyl-9-(triisopropylsilyl)oxy-5H-chromeno[3,4-f]quinoline 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以76%的产率得到(Z)-5-(2'-(3'-hydroxymethylthienylmethylidene))-1,2-dihydro-9-hydroxy-10-methoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline
  参考文献：
  名称：

  Synthesis and Characterization of Nonsteroidal Glucocorticoid Receptor Modulators for Multiple Myeloma

  摘要：

  Structure-activity relationship studies centered around 3 '-substituted (Z)-5-(2 '-(thienylmethylidene))1,2-dihydro-9-hydroxy-10-methoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinolines are described. A series of highly potent and efficacious selective glucocorticoid receptor modulators were identified with in vitro activity comparable to dexamethasone. In vivo evaluation of these compounds utilizing a 28 day mouse tumor xenograft model demonstrated efficacy equal to dexamethasone in the reduction of tumor volume.

  DOI：

  10.1021/jm070370z
• 作为产物：
  描述：

  (Z)-5-(2'-(3'-(piperidinecarbonyl)thienylmethylidene))-1,2-dihydro-10-methoxy-2,2,4-trimethyl-9-(triisopropylsilyl)oxy-5H-chromeno[3,4-f]quinoline 在 三乙基硼氢化锂 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以80%的产率得到(Z)-5-(2'-(3'-hydroxymethylthienylmethylidene))-1,2-dihydro-10-methoxy-2,2,4-trimethyl-9-(triisopropylsilyl)oxy-5H-chromeno[3,4-f]quinoline
  参考文献：
  名称：

  Synthesis and Characterization of Nonsteroidal Glucocorticoid Receptor Modulators for Multiple Myeloma

  摘要：

  Structure-activity relationship studies centered around 3 '-substituted (Z)-5-(2 '-(thienylmethylidene))1,2-dihydro-9-hydroxy-10-methoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinolines are described. A series of highly potent and efficacious selective glucocorticoid receptor modulators were identified with in vitro activity comparable to dexamethasone. In vivo evaluation of these compounds utilizing a 28 day mouse tumor xenograft model demonstrated efficacy equal to dexamethasone in the reduction of tumor volume.

  DOI：

  10.1021/jm070370z

文献信息

• [EN] GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY<br/>[FR] COMPOSES MODULATEURS DE RECEPTEURS DE GLUCOCORTICOIDE ET PROCEDES
  申请人：LIGAND PHARM INC

  公开号：WO2005082909A1

  公开（公告）日：2005-09-09

  Provided herein are compounds of Formula (I) and pharmaceutically acceptable derivatives thereof. Certain of such compounds are selective glucocorticoid receptor modulators and/or selective glucocorticoid binding agents. Also provided are methods of making and using such compounds, including, but not limited to, using such compounds for treating various conditions.

  本文提供了式（I）的化合物及其药用可接受的衍生物。其中某些化合物是选择性糖皮质激素受体调节剂和/或选择性糖皮质激素结合剂。还提供了制备和使用这些化合物的方法，包括但不限于使用这些化合物治疗各种疾病。