6-(3-Cyclopentyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-naphthalen-1-one | 171808-25-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-(3-Cyclopentyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-naphthalen-1-one
• 英文别名: 6-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
• CAS: 171808-25-6
• 化学式: C₂₂H₂₄O₃
• 分子量: 336.431
• InChiKey: ZWGOMCDLXJJWEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(3-Cyclopentyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-naphthalen-1-one 在 吡啶 、 盐酸羟胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 (E)-6-(3-Cyclopentyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-naphthalen-1-one oxime
  参考文献：
  名称：

  Substituted biphenyl derivatives

  摘要：

  以下结构的化合物：##STR1## 其中，当R.sub.8 =H时：R.sub.1 =烷基、环烷基、芳基烷基、芳基；R.sub.2 =环烷基、芳基、C.sub.3-C.sub.10烷基；X、Y=O、S(O).sub.n、NH；Z=CHO、CO.sub.2R.sub.3、CONHR.sub.4R.sub.5、CN、COR.sub.6、H、卤素、HCN、NHCONR.sub.4R.sub.5、CONR.sub.4OR.sub.5、CONR.sub.4NR.sub.5R.sub.6、1-四氮唑、S(O).sub.nOH、S(O).sub.nNR.sub.3R.sub.4、C.dbd.NOH、C(.dbd.N(OH)NH.sub.2)、OCONR.sub.7R.sub.6、P(O)(OR.sub.4).sub.2、C(.dbd.N(YR.sub.3))R.sub.4、NH.sub.2、SH、OH、OS(O).sub.2R.sub.3、C(.dbd.NYC(.dbd.O)R.sub.3)R.sub.4、C(O)CO.sub.2R.sub.3、C(O)CONR.sub.3R.sub.4、CH(OH)CO.sub.2R.sub.3、CHFCO.sub.2R.sub.3、CF.sub.2CO.sub.2R.sub.3、CH(OH)CONR.sub.3R.sub.4、CF.sub.2CONR.sub.3R.sub.4、C.dbd.NNH.sub.2、C(.dbd.NOC(.dbd.O)R.sub.3)R.sub.4、C(.dbd.NNHC(.dbd.O)R.sub.3)R.sub.4、C(.dbd.NOH)R.sub.3、C(.dbd.NNR.sub.3)R.sub.4、NHC(.dbd.O)R.sub.6或C(O)CONH.sub.2；R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7=氢、烷基、芳基、芳基烷基、环烷基或氟烷基；或者是结构式I的化合物，如上所述，其中：X、Y=CH.sub.2、O、S(O).sub.n或NH；Z和R.sub.8=CO.sub.2R.sub.3、CONR.sub.3或R.sub.8和Z被串联，使得R.sub.8Z=C(O)NHNHC(O)、(CH.sub.2).sub.mC(.dbd.W)、V(CH.sub.2).sub.mC(.dbd.W)或V.sub.nCH.dbd.CH(CH.sub.2).sub.nC(.dbd.W)；其中V=O、S(O).sub.n、NH；W=O、NOH、NHNH.sub.2、NOC(O)CH.sub.3或NNHC(O)CH.sub.3；n=0-2；m=2-4或其药学上可接受的盐，用于治疗哮喘、过敏和炎症性疾病，以及使用相同的治疗方法和药物组合物。

  公开号：

  US05650444A1

文献信息

• SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0745063A1

  公开（公告）日：1996-12-04
• US5610294A
  申请人：——

  公开号：US5610294A

  公开（公告）日：1997-03-11
• US5650444A
  申请人：——

  公开号：US5650444A

  公开（公告）日：1997-07-22
• US5691376A
  申请人：——

  公开号：US5691376A

  公开（公告）日：1997-11-25
• [EN] SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS<br/>[FR] DERIVES BIPHENYLE SUBSTITUES UTILISES COMME INHIBITEURS DE LA PHOSPHODIESTERASE
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：WO1995022520A1

  公开（公告）日：1995-08-24

  (EN) A compound of structure (I), wherein, when R8 = H: R1 = alkyl, cycloalkyl, arylalkyl, aryl; R2 = cycloalkyl, aryl, C3-C10 alkyl; X, Y = O, S(O)n, NH; Z = CH2OH, NHSO2R3, CHO, CO2R3, CONHR4R5, CN, COR6, H, halo, NHCN, NHCONR4R5, CONR4OR5, CONR4NR5R6, 1-tetrazole, S(O)nOH, S(O)nNR3R4, C=NOH, C(=N(OH)NH2, OCONR7R6, P(O)(OR4)2, NH2, SH, OH, OS(O)2R3, C(O)CO2R3, C(O)CONR3R4, CH(OH)CO2R3, CHFCO2R3, CF2CO2R3, CH(OH)CONR3R4, CF2CONR3R4, C=NNH2, C(=NOC(=O)R3)R4, C(=NNHC(=O)R3)R4, C(=NOH)R3, C(=NNR3)R4, NHC(=O)R6 or C(O)CONH2; R3, R4, R5, R6, R7 = hydrogen, alkyl, aryl, aryalkyl, cycloalkyl, or fluoroalkyl; or a compound of Structure I, wherein: R1 = alkyl, cycloalkyl, aryalkyl, or aryl; R2 = cycloalkyl, aryl, or alkyl; X, Y = CH2, O, S(O)n), or NH; R3, R4, R5, R6, R7 are each, independently, hydrogen, alkyl, aryl, aryalkyl, cycloalkyl, or fluoroalkyl; R8 = CO2R3, CONR3, or R8 and Z are concatenated such that R8Z = C(O)NHNHC(O), (CH2)mC(=W), V(CH2)mC(=W), or VnCH=CH(CH2)nC(=W); where V = O, S(O)n, NH; W = O, NOH, NHNH2, NOC(O)CH3, or NNHC(O)CH3; halo = Cl, Br, or I; fluoroalkyl = CF3CHF2, CH2F, CH2CF3, C2F5; cycloalkyl = C3-C6 cycloalkyl; aryalkyl = C1-C4 aryl; aryl = phenyl, furanyl, thienyl, or pyridyl; n = 0-2; and m = 2-4 or pharmaceutically acceptable salts thereof, useful in the treatment of asthma, or allergic or inflammatory diseases, as well as methods of treatment and pharmaceutical compositions utilizing the same.(FR) L'invention concerne un composé ayant la formule (I). Dans cette fomule, lorsque R8 = H, R1 = alkyle, cycloalkyle, arylalkyle, aryle; R2 = cycloalkyle, aryle, C3-C10 alkyle; X, Y = O, S(O)n, NH; Z = CH2OH, NHSO2R3, CHO, CO2R3, CONHR4R5, CN, COR6, H, halo, NHCN, NHCONR4R5, CONR4OR5, CONR4NR5R6, 1-tétrazole, S(O)nOH, S(O)nNR3R4, C=NOH, C(=N(OH)NH2, OCONR7R6, P(O)(OR4)2, NH2, SH, OH, OS(O)2R3, C(O)CO2R3, C(O)CONR3R4, CH(OH)CO2R3, CHFCO2R3, CF2CO2R3, CH(OH)CONR3R4, CF2CONR3R4, C=NNH2, C(=NOC(=O)R3)R4, C(=NNHC(=O)R3)R4, C(=NOH)R3, C(=NNR3)R4, NHC(=O)R6 or C(O)CONH2; R3, R4, R5, R6, R7 = hydrogène, alkyle, aryle, aryalkyle, cycloalkyle, ou fluoroalkyle; ou un composé de la formule (I), où R1 = alkyle, cycloalkyle, aryalkyle, or aryle; R2 = cycloalkyle, aryle, ou alkyle; X, Y = CH2, O, S(O)n), ou NH; R3, R4, R5, R6, R7 sont chacun d'une manière indépendante un hydrogène, alkyle, aryle, aryalkyle, cycloalkyle, ou fluoroalkyle; R8 = CO2R3, CONR3, ou R8 et Z sont reliés pour que R8Z = C(O)NHNHC(O), (CH2)mC(=W), V(CH2)mC(=W); ou VnCH=CH(CH2)nC(=W); où V = O, S(O)n, NH; W = O, NOH, NHNH2, NOC(O)CH3, ou NNHC(O)CH3; halo = Cl, Br, or I; fluoroalkyle = CF3CHF2, CH2F, CH2CF3, C2F5; cycloalkyle = C3-C6 cycloalkyle; aryalkyle = C1-C4 aryle; aryle = phényle, furanyle, thiényle, or pyridyle; n = 0-2; et m = 2-4. L'invention concerne également les sels de ces composés, acceptables sur le plan pharmaceutique. Ces produits sont utiles pour le traitement de l'asthme, d'allergies ou de maladies inflammatoires. L'invention concerne également des compositions pharmaceutiques contenant ces produits et leur utilisation.