3-(4-fluorobenzyl)-6-[3-(4-methoxyphenyl)-prop-1-ynyl]-1-methyl-1H-quinazolin-2,4-dione | 515869-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(4-fluorobenzyl)-6-[3-(4-methoxyphenyl)-prop-1-ynyl]-1-methyl-1H-quinazolin-2,4-dione
• 英文别名: 3-[(4-Fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methylquinazoline-2,4-dione
• CAS: 515869-87-1
• 化学式: C₂₆H₂₁FN₂O₃
• 分子量: 428.463
• InChiKey: VTMRWMGSCCXUBB-UHFFFAOYSA-N

物化性质

• 沸点：
  619.1±65.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Alkynylated fused ring pyrimidine compounds
  申请人：——

  公开号：US20030130278A1

  公开（公告）日：2003-07-10

  A compound selected from those of formula (I): 1 wherein W 1 represents O, S, or —NR 3 in which R 3 represents hydrogen, alkyl, OH or CN; W 2 represents a group selected from hydrogen, CF 3 , NH 2 , monoalkylamino, dialkylamino, alkyl, alkenyl, alkynyl, aryl, arylalkyl, cycloalkylalkyl, heterocycle, these groups being optionally substituted, or W 1 and W 2 form together a group of formula —N═X 4 —W 3 — as defined in the description, X 1 , X 2 and X 3 represent N or C optionally substituted, n is 0 to 8, Z represents —CR 12 R 13 , wherein R 12 and R 13 are as defined in the description, A represents a ring system, the groups R 2 represent hydrogen or various chemical groups as defined in the description, q is 0 to 7; R 1 represents hydrogen, alkyl, alkenyl, alkynyl, or a ring system, and optionally, its optical isomers, N-oxide, and addition salts thereof with a pharmaceutically-acceptable acid or base, and medicinal products containing the same are useful as specific inhibitors of type-13 matrix metalloprotease.

  从公式（I）中选择的一种化合物：其中W1代表O、S或—NR3，其中R3代表氢、烷基、OH或CN；W2代表从氢、CF3、NH2、单烷基氨基、二烷基氨基、烷基、烯基、炔基、芳基、芳基烷基、环烷基烷基、杂环烷基中选择的一个基团，这些基团可以选择性地被取代，或者W1和W2一起形成一个公式为—N═X4—W3—的基团，如描述中定义的，X1、X2和X3代表N或C，可以选择性地被取代，n为0到8，Z代表—CR12R13，其中R12和R13如描述中定义，A代表一个环系统，基团R2代表氢或描述中定义的各种化学基团，q为0到7；R1代表氢、烷基、烯基、炔基或一个环系统，以及其光学异构体、N-氧化物和与药学上可接受的酸或碱形成的加合物，以及含有它们的药用产品作为特异性抑制剂对13型基质金属蛋白酶具有用处。
• Fused (1,2,4) oxadiazolylidenebenzenesulfonamides and their use as herbicides and plant growth regulants
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0058476A2

  公开（公告）日：1982-08-25

  Compounds of the formula wherein R is halogen, nitro or various organic groups; R1 is hydrogen, halogen, nitro or various organic groups; X is CH3, C2H5, CH30 or C2H5O; Y is H, Cl, CF3, alkyl, alkoxy or alkoxy-alkyl; and Z is CH or N; and their agriculturally suitable salts, exhibit general and selective herbicidal activity and can be useful in regulating plant growth. The compounds can be made e.g. by reacting compounds of formula with N-oxides of formula or by reacting novel oxadiazoles of formula with an appropriately substituted phenylsulfonyl chloride of formula

  式中 R 为卤素、硝基或各种有机基团；R1 为氢、卤素、硝基或各种有机基团；X 为 CH3、C2H5、 0 或 O；Y 为 H、Cl、CF3、烷基、烷氧基或烷氧基-烷基；Z 为 CH 或 N 的化合物及其农业上适用的盐类，具有一般和选择性除草活性，可用于调节植物生长。 这些化合物可通过使式化合物与式中的 N-氧化物反应，或使式中的新型噁二唑与式中的适当取代的苯磺酰氯反应而制得。
• ALKYNYLATED FUSED RING PYRIMIDINE COMPOUNDS AS MATRIX METALLOPROTEASE-13 INHIBITORS
  申请人：Warner-Lambert Company LLC

  公开号：EP1465878A1

  公开（公告）日：2004-10-13
• US6887991B1
  申请人：——

  公开号：US6887991B1

  公开（公告）日：2005-05-03
• US6962922B2
  申请人：——

  公开号：US6962922B2

  公开（公告）日：2005-11-08