4-(4-((4-acetylphenyl)sulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)benzonitrile | 1307228-18-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(4-((4-acetylphenyl)sulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)benzonitrile
• 英文别名: 4-[4-(4-Acetylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]benzonitrile
• CAS: 1307228-18-7
• 化学式: C₂₃H₁₈N₂O₄S
• 分子量: 418.473
• InChiKey: MXTJFIGMYMDDCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  6

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.