5,10-Dihydroxy-8,9-dimethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one | 461695-08-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 5,10-Dihydroxy-8,9-dimethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one
• 英文别名: 5,10-dihydroxy-8,9-dimethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
• CAS: 461695-08-9
• 化学式: C₁₇H₂₀O₅
• 分子量: 304.343
• InChiKey: AJGADNWBAXRFNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (cis,trans)-2,3-dihydro-2,3-dimethyl-9-hydroxy-8-propyl-4H,6H-benzo<1,2-b:3,4-b>dipyran-4,6-dione 、 三氯化铈 、 硼氢化钠 在 二氯甲烷 、 ice 、 碳酸氢钠 、 Brine 、 Sodium sulfate-III 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以yielding 1.97 g (98%) of a mixture of cis- and trans-17a的产率得到5,10-Dihydroxy-8,9-dimethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one
  参考文献：
  名称：

  Pyranocoumarin compounds as a novel pharmacophore with anti-TB activity

  摘要：

  本发明涉及用于治疗或预防与分枝杆菌感染相关的疾病和病状的化合物和组合物，以及使用方法。

  公开号：

  US06670383B2

文献信息

• Pyranocoumarin compounds as a novel pharmacophore with anti-TB activity
  申请人：——

  公开号：US20030083369A1

  公开（公告）日：2003-05-01

  The present invention relates to compounds and compositions useful in treating or preventing conditions and diseases related to Mycobacterium infection, and methods of use directed thereto.

  本发明涉及用于治疗或预防与分枝杆菌感染相关的疾病和状况的化合物和组合物，以及相应的使用方法。
• PYRANOCOUMARIN COMPOUNDS AS A NOVEL PHARMACOPHORE WITH ANTI-TB ACTIVITY
  申请人：Sarawak Medichem Pharmaceuticals, Inc.

  公开号：EP1379529A2

  公开（公告）日：2004-01-14
• US6670383B2
  申请人：——

  公开号：US6670383B2

  公开（公告）日：2003-12-30
• [EN] PYRANOCOUMARIN COMPOUNDS AS A NOVEL PHARMACOPHORE WITH ANTI-TB ACTIVITY<br/>[FR] COMPOSES PYRANOCOUMARINIQUES UTILISES EN TANT QUE NOUVEAU PHARMACOPHORE AYANT UNE ACTIVITE ANTI-TB
  申请人：SARAWAK MEDICHEM PHARMACEUTICALS INC

  公开号：WO2002074777A2

  公开（公告）日：2002-09-26

  The present invention relates to compounds according to formula (I) or a pharmaceutical acceptable salt thereof: (formula I) wherein R1 is alkyl, alkenyl, alkynyl, aryl, OH, or NH2; R2 is selected from H, alkyl, alkenyl, alkynyl, aryl and can optionally form a 4 to 7-membered ring with R3; R3 is selected from H, alkyl, alkenyl, alkynyl, aryl and can optionally form a 4 to 7-membered ring with R2; R4 is selected from H, alkyl, alkenyl, akynyl, aryl and can optionally form 4 to 7-membered ring with R5; R5 is selected from H, alkyl,alkenyl, alkynyl, aryl, and can optionally form 4 to 7-membered ring with R4; and R6 is selected from the group consisting of =O, OH, =NH, NH2, SH, P(O)nHm substituted imines, and substituted amines, wherein n is 2-4 and m is 1-3; with the proviso that only one of either R2 and R3 or R4 and R5 optionally form a 6-membered ring, resulting in a compound of formula (I) comprising three fused 6-membered rings, and compositions useful in treating or preventing conditions and diseases related to Mycobacterium infection, and methods of use directed thereto.