N-[3-(3-{1-piperidylmethyl}phenoxy)propyl]-1,2,4-benzothiadiazine-3-amine-1,1-dioxide | 92084-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-[3-(3-{1-piperidylmethyl}phenoxy)propyl]-1,2,4-benzothiadiazine-3-amine-1,1-dioxide
• 英文别名: 1,1-dioxo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-4H-1lambda6,2,4-benzothiadiazin-3-imine；1,1-dioxo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-4H-1λ6,2,4-benzothiadiazin-3-imine
• CAS: 92084-51-0
• 化学式: C₂₂H₂₈N₄O₃S
• 分子量: 428.555
• InChiKey: JOQSZKQSDYIKEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  91.4
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Histamine H2 receptor antagonists of the benzisothiazole amino and benzthiadiazine amino series
  申请人：BEECHAM GROUP PLC

  公开号：EP0105732A2

  公开（公告）日：1984-04-18

  Compounds of formula (I), or a pharmaceutically acceptable salt, quaternised derivative, N-oxide or solvate thereof: wherein: R1 is hydrogen, halogen, hydroxy, C1-4 alkyl, C1-4 alkoxy, or amino or guanidino, the or any amino moiety being optionally substituted by one or two C1-4 alkyl optionally substituted by halogen, or an aminomethylene group of formula (a), in which R2 and R3 are the same or different and are hydrogen, C1-4 alkyl, C3-6 cycloalkyl, C3-6 cycloalkyl-C1-4 alkyl or phenyl C1-4 alkyl, or R2 and R3 together with the nitrogen atom to which they are attached are morpholino, pyrrolidino or piperidino; Ar is furandiyl, thiophendiyl, phenylene, pyridinediyl, pyrimidinediyl, thiazolediyl, thiadiazolediyl or imidazolediyl; a is 0 or an integer 1 or 2; b is an integer from 2 to 5; and Het is a bicyclic heteroaryl group of formula (b) or (c), in which R4 and R5 are the same or different and are hydrogen, halogen, C1-5 alkyl, trifluoromethyl, nitro, cyano, hydroxy, C1-5 alkoxy, C1-5 alkylthio, carboxy, amino, aminocarbonyl, aminocarbonylamino, amino-thiocarbonylamino, aminosulphonyl, C1-5 alkylsulphonyl, C1-6 alkylsulphinyl, C1-5 alkylsulphonylamino, C1-6 alkyluslphinylamino, phenylsulphonyl, phenylsulphinyl or are a group of formula (d) or (e), in which R9 is hydrogen, C1-6 alkyl, C1-6 alkoxy, C1-6 alkylthio, phenyl, phenoxy or phenylthio, Y is oxygen or sulphur and Z is oxygen, sulphur or N-R10, R10 being hydrogen or C1-5 alkyl, the C1-6 alkyl group or the C1-6 alkyl moiety of any of the foregoing C1-6 alkyl-containing groups for R4 and R5 being optionally substituted by phenyl, the amino group or the amino moiety of any of the foregoing amino-containing groups for R4 and R5 being optionally substituted by one or two C1-6 alkyl, phenyl or phenyl-C1-4 alkyl or optionally N-disubstituted by C4-5 polymethylene, and the phenyl moity of any of the foregoing phenyl-containing groups for R4 and R5 being optionally substituted by C1-6 alkyl, C1-6 alkoxy, halogen, nitro or trifluoromethyl, one of Rs and Rs is hydrogen, C1-6 alkyl, C1-6 alkanoyl, C1-6 alkylsulphonyl, C1-6 alkoxycarbonyl or phenoxycarbonyl, benzyloxycarbonyl, phenyl, phenylsulphonyl or phenyl C1-4 alkyl, the phenyl moiety being optionally substituted by benzoyl, C1-6 alkyl, C1-4 alkoxy, halogen, nitro or trifluoromethyl, and the other of R6 and R8 together with R7 is a bond, and n is O or an integer 1 or 2.

  式 (I) 化合物或其药学上可接受的盐、季铵盐衍生物、N-氧化物或溶液： 其中 R1 是氢、卤素、羟基、C1-4 烷基、C1-4 烷氧基或氨基或胍基，其中或任何氨基可任选被一个或两个任选被卤素取代的 C1-4 烷基或式（a）的氨基亚甲基取代、 其中 R2 和 R3 相同或不同，且为氢、C1-4 烷基、C3-6 环烷基、C3-6 环烷基-C1-4 烷基或苯基 C1-4 烷基，或 R2 和 R3 连同其所连接的氮原子为吗啉基、吡咯烷基或哌啶基； Ar 是呋喃二基、噻吩二基、亚苯基、吡啶二基、嘧啶二基、噻唑二基、噻二唑二基或咪唑二基； a 是 0 或整数 1 或 2； b 是 2 至 5 的整数；以及 Het 是式 (b) 或 (c) 的双环杂芳基、 其中 R4 和 R5 相同或不同，并且是氢、卤素、C1-5 烷基、三氟甲基、硝基、氰基、羟基、C1-5 烷氧基、C1-5 烷硫基、羧基、氨基、氨基羰基、氨基羰基氨基、氨基-硫代羰基氨基、氨基-硫代羰基氨基、氨磺酰，C1-5 烷基磺酰基，C1-6 烷基亚磺酰基，C1-5 烷基亚磺酰氨基，C1-6 烷基亚磺酰氨基，苯基磺酰基，苯基亚磺酰基或为式 (d) 或 (e) 的基团、 其中 R9 是氢、C1-6 烷基、C1-6 烷氧基、C1-6 烷硫基、苯基、苯氧基或苯硫基，Y 是氧或硫，Z 是氧、硫或 N-R10，R10 是氢或 C1-5 烷基，R4 和 R5 的 C1-6 烷基或前述任何含 C1-6 烷基的基团的 C1-6 烷基分子可选择被苯基取代、R4 和 R5 的氨基或前述任何含氨基基团的氨基基团可选择被一个或两个 C1-6 烷基、苯基或苯基-C1-4 烷基取代，或可选择被 C4-5 聚亚甲基 N-二取代、以及 R4 和 R5 的任何前述含苯基的基团的苯基可选被 C1-6 烷基、C1-6 烷氧基、卤素、硝基或三氟甲基取代，Rs 和 Rs 中的一个为氢、C1-6 烷基、C1-6 烷酰基、C1-6 烷基磺酰基、C1-6 烷氧羰基或苯氧羰基、苄氧羰基、苯基、苯磺酰基或苯基 C1-4 烷基，苯基可任选被苯甲酰基、C1-6 烷基、C1-4 烷氧基、卤素、硝基或三氟甲基取代，R6 和 R8 中的另一个与 R7 一起为键，n 为 O 或 1 或 2 的整数。
• Aminothiadiazine derivatives as histamine H2-antagonists
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0172968A1

  公开（公告）日：1986-03-05

  Compounds of the formula (I): and salts thereof, wherein R' and R2 are hydrogen, alkyl, substituted alkyl or are joined; n is 1 to 6; Z is 1,3-phenylene, 1,4-phenylene, 2,4-pyridyl wherein the R1R2N(CH2)n group is in the 4-position; m is zero or one; Y is oxygen, sulphur or methylene; p is two, three or four; and R3 and R4 are independently hydrogen, C1-6alkyl, aryl, aryl(C1-6)alkyl or pyridyl(C1-6)alkyl, or R3 and R4 together with the carbon atoms to which they are attached form a benzene ring optionally substituted by C1-6alkyl are described as histamine H2 antagonists. Their use in pharmaceutical compositions is described, as are processes for their preparation.

  式 (I) 的化合物： 及其盐类，其中 R' 和 R2 是氢、烷基、取代烷基或相连；n 是 1 至 6；Z 是 1,3-亚苯基、1,4-亚苯基、2,4-吡啶基，其中 R1R2N(CH2)n 基团位于 4 位；m 是 0 或 1；Y 是氧、硫或亚甲基；p 是 2、3 或 4；以及 R3 和 R4 独立地为氢、C1-6烷基、芳基、芳基（C1-6）烷基或吡啶基（C1-6）烷基，或 R3 和 R4 与它们所连接的碳原子一起形成任选被 C1-6 烷基取代的苯环。介绍了它们在药物组合物中的用途以及制备工艺。
• US4558044A
  申请人：——

  公开号：US4558044A

  公开（公告）日：1985-12-10