(2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-[[p-[(3RS-hydroxy)-1-pyrrolidinylmethyl]benzoyloxy]methoxy]butane | 251295-40-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-[[p-[(3RS-hydroxy)-1-pyrrolidinylmethyl]benzoyloxy]methoxy]butane
• 英文别名: [(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl 4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoate
• CAS: 251295-40-6
• 化学式: C₃₅H₃₂F₂N₆O₄S
• 分子量: 670.74
• InChiKey: XHSSLVCLFRERIK-KEHMHDMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  48
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  155
• 氢给体数：
  1
• 氢受体数：
  12

文献信息

• Water soluble prodrugs of azole compounds
  申请人：——

  公开号：US20010012843A1

  公开（公告）日：2001-08-09

  Water-soluble prodrugs of triazole antifungal compounds having a secondary or tertiary hydroxy group are provided. More particularly, new water-soluble triazole antifungal compounds are provided having the general formula 1 wherein A is the non-hydroxy portion of a triazole antifungal compound of the type containing a secondary or tertiary hydroxyl group and n, R 1 and R 2 are as defined in the specification.

  提供了具有次级或三级羟基的三唑类抗真菌化合物的水溶性前药。更具体地，提供了具有一般式1的新的水溶性三唑类抗真菌化合物，其中A是三唑类抗真菌化合物中不含羟基的部分，该部分含有次级或三级羟基，n、R1和R2如规范中所定义。
• US6265584B1
  申请人：——

  公开号：US6265584B1

  公开（公告）日：2001-07-24
• US6359141B2
  申请人：——

  公开号：US6359141B2

  公开（公告）日：2002-03-19
• [EN] WATER-SOLUBLE PRODRUGS OF AZOLE COMPOUNDS<br/>[FR] PROMEDICAMENTS SOLUBLES DANS L'EAU DE COMPOSES D'AZOLE
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：WO1999061017A1

  公开（公告）日：1999-12-02

  (EN) Water-soluble prodrugs of triazole antifungal compounds having a secondary or tertiary hydroxy group are provided. More particularly, new water-soluble triazole antifungal compounds are provided having general formula (I) wherein A is the non-hydroxy portion of a triazole antifungal compound of the type containing a secondary or tertiary hydroxyl group and n, R1 and R2 are as defined in the specification.(FR) L'invention concerne des promédicaments solubles dans l'eau de composés antifongiques de triazole comprenant un groupe hydroxy secondaire ou tertiaire. Plus particulièrement, l'invention concerne de nouveaux composés antifongiques de triazole solubles dans l'eau, de la formule générale (I) dans laquelle A représente la partie non-hydroxy d'un composé antifongique de triazole du type contenant un groupe hydroxy secondaire ou tertiaire et n, et R1 et R2 sont comme définis dans la description.