4-[3-chloro-4-(methylsulfanyl)phenoxy]-3-[(dimethylamino)methyl]-benzenesulfonamide | 402912-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[3-chloro-4-(methylsulfanyl)phenoxy]-3-[(dimethylamino)methyl]-benzenesulfonamide
• 英文别名: 4-(3-Chloro-4-methylsulfanylphenoxy)-3-[(dimethylamino)methyl]benzenesulfonamide
• CAS: 402912-53-2
• 化学式: C₁₆H₁₉ClN₂O₃S₂
• 分子量: 386.923
• InChiKey: SNFPHAIZQSQJBE-UHFFFAOYSA-N

物化性质

• 沸点：
  501.8±60.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Phenoxybenzylamine derivatives as SSRls
  申请人：——

  公开号：US20030060456A1

  公开（公告）日：2003-03-27

  A compound of general formula (I) wherein R 1 and R 2 are H, C 1 -C 6 alkyl or (CH 2 ) d (C 3 -C 6 cycloalkyl) wherein d=0, 1, 2 or 3; or R 1 and R 2 together with the nitrogen to which they are attached form an azetidine ring; Z or Y is —SR 3 and the other Z or Y is halogen or —R 3 ; wherein R 3 is C 1 -C 4 alkyl optionally substituted with fluorine; except that R 3 is not CF 3 ; or Z and Y are linked so that, together with the interconnecting atoms, Z and Y form a fused 5 to 7-membered carbocyclic or heterocyclic ring, and wherein when Z and Y form a heterocyclic ring, in addition to carbon atoms, the linkage contains one or two heteroatoms independently selected from oxygen, sulfur and nitrogen; R 4 and R 5 , which may be the same or different, are: A—X, wherein A═—CH═CH— or —(CH 2 ) p — where p is 0, 1 or 2; X is hydrogen, F, Cl, Br, I, CONR 6 R 7 , SO 2 NR 6 R 7 , SO 2 NHC(═O)R 6 , OH, C 1-4 alkoxy, NR 8 SO 2 R 9 , NO 2 , NR 6 R 11 , CN, CO 2 R 10 , CHO, SR 10 , S(O)R 9 or SO 2 R 10 ; or a 5- or 6-membered heterocyclic ring containing 1, 2 or 3 heteroatoms selected from N, S and O, optionally substituted independently by one or more R 13 ; wherein R 13 is hydroxy, C 1 -C 4 alkoxy, F, C 1 -C 6 alkyl, haloalkyl, haloalkoxy, —NH 2 , —NH(C 1 -C 6 alkyl) or —N(C 1 -C 6 alkyl) 2 . 1

  通用式（I）的一个化合物，其中R1和R2为H、C1-C6烷基或（CH2）d（C3-C6环烷基），其中d=0、1、2或3；或者R1和R2与它们连接的氮一起形成一个氮杂环；Z或Y为—SR3，另一个Z或Y为卤素或—R3；其中R3为C1-C4烷基，可选择地取代氟，但R3不是CF3；或者Z和Y连接在一起，使得Z和Y与连接的原子一起形成一个融合的5到7元环烷基或杂环基，当Z和Y形成一个杂环基时，除了碳原子外，连接还包含一个或两个独立选择的氧、硫和氮杂原子；R4和R5，可以相同也可以不同，为：A—X，其中A为— CH—或—（ ）p—，其中p为0、1或2；X为氢、F、Cl、Br、I、CONR6R7、SO2NR6R7、SO2NHC（HO）R6、OH、C1-4烷氧基、NR8SO2R9、NO2、NR6R11、CN、CO2R10、CHO、SR10、S（O）R9或SO2R10；或者含有1、2或3个N、S和O杂原子的5-或6元杂环基，可选择地独立地被一个或多个R13取代；其中R13为羟基、C1-C4烷氧基、F、C1-C6烷基、卤代烷基、卤代烷氧基、—NH2、—NH（C1-C6烷基）或—N（C1-C6烷基）2。
• PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS
  申请人：Pfizer Limited

  公开号：EP1313701A1

  公开（公告）日：2003-05-28
• US6610747B2
  申请人：——

  公开号：US6610747B2

  公开（公告）日：2003-08-26
• [EN] PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS<br/>[FR] DERIVES DE LA PHENOXYBENZYLAMINE INHIBITEURS SELECTIFS DU RECAPTAGE DE LA SEROTONINE
  申请人：PFIZER LTD

  公开号：WO2002018333A1

  公开（公告）日：2002-03-07

  A compound of general formula (I) wherein R?1 and R2¿ are H, C¿1?-C6alkyl or (CH2)d(C3-C6cycloalkyl) wherein d = 0, 1, 2 or 3; or R?1 and R2¿ together with the nitrogen to which they are attached from an azetidine ring; Z or Y is -SR3 and the other Z or Y is halogen or -R3; wherein R3 is C1-C4 alkyl optionally substituted with fluorine; except that R3 is not CF¿3?; or Z and Y are linked so that, together with the interconnecting atoms, Z and Y form a fused 5 to 7-membered carbocyclic or heterocyclic ring, and wherein when Z and Y form a heterocyclic ring, in addition to carbon atoms, the linkage contains one or two heteroatoms independently selected from oxygen, sulfur and nitrogen; R?4 and R5¿, which may be the same or different, are: A-X, wherein A = -CH=CH- or -(CH¿2?)p- where p is 0, 1 or 2; X is hydrogen, F, CI, Br, I, CONR?6R7, SO¿2NR6R7, SO2NHC(=O)R6, OH, C¿1-4?alkoxy, NR?8SO¿2R9, NO2, NR6R11, CN, CO¿2R?10, CHO, SR?10, S(O)R9¿ or SO¿2R?10; or a 5- or 6-membered heterocyclic ring containing 1, 2 or 3 heteroatoms selected from N, S and O, optionally substituted independently by one or more R13; wherein R13 is hydroxy, C¿1?-C4alkoxy, F, C1-C6alkyl, haloalkyl, haloalkoxy, -NH2, NH(C1-C6alkyl) or -N(C1-C6alkyl)2. The compounds of general formula (I) inhibit monoamine reuptake and in particular exhibit activity as selective serotonin reuptake inhibitors.