5-(4-tosyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)pyrimidine-2-carbonitrile | 1307228-28-9

• 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: 5-(4-tosyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)pyrimidine-2-carbonitrile
• 英文别名: 5-[4-(4-Methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidine-2-carbonitrile
• CAS: 1307228-28-9
• 化学式: C₂₀H₁₆N₄O₃S
• 分子量: 392.438
• InChiKey: HJSKFNJUXWQFDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES<br/>[FR] DÉRIVÉS DE 2,3-DIHYDROBENZOXAZINE ET DE 2,3-DIHYDROBENZOTHIAZINE UTILISÉS EN TANT QU'INHIBITEURS DES HIF POUR LE TRAITEMENT DU CANCER ET DES MALADIES INFLAMMATOIRES
  申请人：ELARA PHARMACEUTICALS GMBH

  公开号：WO2011057892A1

  公开（公告）日：2011-05-19

  The present invention provides novel 2,3-dihydrobenzazine compounds of the formula (I), the pharmaceutically acceptable salts thereof, the N-oxides thereof and the pharmaceutically acceptable salts of said N-oxides. Formula (I) X is O or S(=O)n with n being 0, 1 or 2; R1 is phenyl or C-bound monocyclic 5- or 6-membered heteroaryl, wherein phenyl and monocyclic 5- or 6-membered heteroaryl are unsubstituted or carry 1, 2 or 3 radicals R1a which are identical or different; R1a is selected from the group consisting of halogen, cyano, NO2, NH2, OH, SH, C1-C10-alkyl, C2-C10-alkenyl, C2-C10-alkynyl, C1-C6-alkoxy, C1-C6-alkylthio, hydroxy-C1-C6-alkyl, C1-C4-alkoxy-C1-C4-alkyl, fluorinated C1-C2-alkyl, SF5, fluorinated C1-C2-alkoxy, C(O)R3, NR4R5, N(OR6)R7 and C(O)OR8, or two radicals R1a, which are bound to adjacent carbon atoms, may also form a bridging moiety O-Alk-O, wherein AIk is selected from CH2, CH2CH2, CHF and CF2; R2 is phenyl or C- or N-bound monocyclic 5- or 6-membered heteroaryl, wherein phenyl and monocyclic 5- or 6-membered heteroaryl carry a CN radical and may additionally carry 1, 2 or 3 radicals R2a which are identical or different; R2a is selected from the group consisting of halogen, cyano, NO2, NH2, OH, SH, C1-C10-alkyl, C2-C10-alkenyl, C2-C10-alkynyl, C1-C6-alkoxy, C1-C6-alkylthio, hydroxy-C1-C6-alkyl, C1-C4-alkoxy-C1-C4-alkyl, fluorinated C1-C2-alkyl, SF5, fluorinated C1-C2-alkoxy, C(O)R3, NR4R5, N(OR6)R7 and C(O)OR8, or two radicals R2a, which are bound to adjacent carbon atoms, may also form a bridging moiety O-Alk'-O, wherein AIk' is selected from CH2, CH2CH2, CHF and CF2; and where R3 to R8 are as defined in the claims and the specification. The invention relates to use of these compounds in therapy, in particular in the therapy of a disease or disorder selected from the group consisting of inflammatory diseases, a hyperproliferative disease or disorders, a hypoxia related pathology and a disease characterized by pathophysiological hyper-vascularisation.