3-Chloro-4-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde | 819076-60-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-Chloro-4-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
• CAS: 819076-60-3
• 化学式: C₁₄H₉Cl₂FO₂
• mdl: MFCD16500944
• 分子量: 299.1
• InChiKey: HYJDZWCQSSHDCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS<br/>[FR] DERIVES D'ACIDES AMINES EN TANT QU'INHIBITEURS DES CANAUX SODIQUES DE MAMMIFERES
  申请人：IONIX PHARMACEUTICALS LTD

  公开号：WO2004087125A1

  公开（公告）日：2004-10-14

  Use of a compound of formula (I), or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for use in the treatment or prevention of a condition selected from chronic and acute pain, tinnitus, bowel disorders, bladder dysfunctions and demyelinating diseases, Formula (I) wherein: - R1 is Cl-C6 alkyl, C6-C10 aryl, a 5- to 10- membered heteroaryl group, a 5- to 10- membered heterocyclyl group or a C3-C6 carbocyclyl group; each R2 is the same or different and represents Cl-C6 alkyl, halogen, Cl-C6 alkoxy, Cl-C6 alkythio, hydroxy, nitro, cyano, amino, (Cl-C6 alkyl)amino or di-( Cl-C6 alkyl)amino; - R3 represents hydrogen, Cl-C6 alkyl, or together with R4 represents a C2-C4 alkylene group; - R4 is hydrogen, Cl-C6 alkyl, C6-C10 aryl, C3-C6 carbocyclyl, a 5- to 10­membered heteroaryl group, a 5- to 10- membered heterocyclyl group, -( Cl-C6 alkyl)-(C6-C10 aryl), -(C1-C6 alkyl)-(C3-C6 carbocyclyl), -(C1-C6 alkyl)-(5-to 10- membered heteroaryl), - ( Cl-C6 alkyl)-(5- to 10- membered heterocyclyl) or, together with R3 represents a C2-C4 alkylene group; - R5 and R6 are the same or different and each represent hydrogen or a Cl-C6 alkyl group; - n is 0,1, 2, 3 or 4; X1 represents a direct bond or a methylene group; and X2 represents a -CH2-, -CO-, -SO- or -S(O)2- group, wherein: the alkyl and alkylene groups and moieties in the substituents R1 to R6 and X, are unsubstituted or are substituted by 1, 2 or 3 substituents which are the same or different and are selected from hydroxy, amino, C1-C4 alkoxy, C1-C4 alkylthio, C1-C4 alkylamino and di(C1-C4 alkyl)amino substituents; and the aryl, heteroaryl, heterocyclyl and carbocyclyl groups and moieties in the substituents R1 and R4 are unsubstituted or are substituted by 1, 2 or 3 substituents which are the same or different and are selected from halogen, Cl-C6 alkyl, Cl-C6 alkoxy, Cl-C6 alkylthio, hydroxy, amino, Cl-C6 alkylamino, di-( Cl-C6 alkyl)amino, Cl-C6 haloalkyl, Cl-C6 haloalkoxy and Cl-C6 haloalkylthio substituents. provided that, when n is 1, 2, 3 or 4, R4 is other than hydrogen and when n is 0, X2 is -CH2- and R1 is an aryl or heteroaryl group, then either: (a) R, is a phenyl group which carries at least one -SCF3 substituent or is a thienyl group which carries at least one chloro substituent; (d) R1 is a phenyl group which carries at least one -CF3 substituent or at least two halogen substituents; or (e) R4 is benzyl or hydroxybenzyl and R1 is a phenyl group which carries a fluorine or -OCH3 substituent.
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：IONIX PHARMACEUTICALS LTD

  公开号：WO2005000309A2

  公开（公告）日：2005-01-06

  Compounds of the formulae (I) and (II), and pharmaceutically acceptable salts thereof, are found to be inhibitors of sensory neurone specific (SNS) sodium channels. They are therefore useful as analgesic and neuroprotective agents. Formula (I) & Formula (II) wherein, in the formula (I), R1 is an organic substituent, X1 and X2 are direct bonds or spacer moieties, Ar is aryl or heteroaryl and Y is a substituted aminoalkyl group or a heteroaryl-, heterocyclyl- or phenyl-containing moiety and, in the formula(II), R1, R2, R3, Ar and R4 are organic substituents, X is a spacer moiety and Het is a 5-membered heteroaryl or heterocyclyl group.