{2-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]-5-methyl-[1,3]dioxan-5-yl}-morpholin-4-yl-methanone | 1100597-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {2-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]-5-methyl-[1,3]dioxan-5-yl}-morpholin-4-yl-methanone
• 英文别名: [2-[4-(4-Fluorophenyl)-5-pyridin-4-yl-1,3-oxazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-morpholin-4-ylmethanone
• CAS: 1100597-92-9
• 化学式: C₂₄H₂₄FN₃O₅
• 分子量: 453.47
• InChiKey: YDLAAOGLKIUPGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Heteroaryl-cyclic acetals
  申请人：Collis Alan

  公开号：US20050090501A1

  公开（公告）日：2005-04-28

  Compounds of formula (I) are described in which Het is a five or six membered heteroaromatic ring of the formula in which one of R 1 and R 2 is optionally substituted heteroaryl and the other is optionally substituted heteroaryl or optionally substituted aryl; X 1 is a bond, X 3 and X 4 are each independently N or C and X 2 and X 5 are independently CH, N, NH, O or S; or X 3 and X 4 are C, one of X 1 , X 2 and X 5 is N and the others are N or CH; but excluding compounds in which X 1 is a bond, one of X 2 and X 5 is N and the other is NH and X 3 and X 4 are both C; R 3 represents a group -L 1 -R 6 ; R 4 represents hydrogen, alkyl or hydroxyalkyl; or R 3 and R 4 , when attached to the same carbon atom, may form with the said carbon atom a cycloalkyl, cycloalkenyl or heterocycloalkyl ring or a group C═CH 2 ; R 5 represents hydrogen or alkyl; and m is zero or an integer 1 or 2; and N-oxides thereof, and their prodrugs; and pharmaceutically acceptable salts and solvates of compounds of formula (I) and N-oxides thereof, and their prodrugs. The compounds are TNF inhibitors and are useful as pharmaceuticals.

  描述了式(I)化合物，其中Het是式的五元或六元杂环芳香环：其中R1和R2中的一个是可选取代的杂芳基，另一个是可选取代的杂芳基或可选取代的芳基；X1是键，X3和X4分别独立地是N或C，X2和X5独立地是CH、N、NH、O或S；或者X3和X4是C，X1、X2和X5中的一个是N，其他是N或CH；但不包括其中X1是键，X2和X5中的一个是N，另一个是NH，X3和X4都是C的化合物；R3表示一个-L1-R6基团；R4表示氢、烷基或羟基烷基；或者当附加到同一个碳原子时，R3和R4可以与所述碳原子形成环状烷基、环状烯基或杂环烷基环或C═CH2基团；R5表示氢或烷基；m为零或整数1或2；以及其N-氧化物和其前药；化合物的式(I)和其N-氧化物的药学上可接受的盐和溶剂；这些化合物是TNF抑制剂，可用于制药。
• HETEROARYL-CYCLIC ACETALS
  申请人：Aventis Pharma Limited

  公开号：EP1140916B1

  公开（公告）日：2002-11-13
• US7479501B2
  申请人：——

  公开号：US7479501B2

  公开（公告）日：2009-01-20