1-(6-chloronaphthalene-2-sulfonyl)-4-(4-piperidinecarbonyl)piperazine | 179051-54-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(6-chloronaphthalene-2-sulfonyl)-4-(4-piperidinecarbonyl)piperazine
• 英文别名: 1-(6-chloronaphth-2-ylsulphonyl)-4-(4-piperidinylcarbonyl)piperazine；4-(1-(6-Chloronaphth-2-ylsulphonyl)piperazin-4-ylcarbonyl)piperidine；[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-piperidin-4-ylmethanone
• CAS: 179051-54-8
• 化学式: C₂₀H₂₄ClN₃O₃S
• 分子量: 421.948
• InChiKey: CUQXSBQSPHOSCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(6-chloronaphthalene-2-sulfonyl)-4-(4-piperidinecarbonyl)piperazine 以39%的产率得到4-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ylcarbonyl]-1-(6-chloronaphth-2-ylsulphonyl)piperazine
  参考文献：
  名称：

  Aminoheterocyclic derivatives as antithrombotic or anticoagulant

  摘要：

  该发明涉及式(I)的化合物，其中G.sup.1、G.sup.2和G.sup.6中的每一个是CH或n；m为1或2；R.sup.1包括氢、卤代和(1-4C)烷基；M.sup.1是式的一个基团：NR.sup.2 -L.sup.1 -T.sup.1 R.sup.3，在其中R.sup.2和R.sup.3共同形成一个(1-4C)烷基基团，L.sup.1包括(1-4C)烷基，T.sup.1为CH或N；A可以是直接连接；M.sup.2是式的一个基团：(T.sup.2 R.sup.4).sub.r -L.sup.2 T.sup.3 R.sup.5，在其中R为0或1，T.sup.2和T.sup.3中的每一个是CH或N，R.sup.4和R.sup.5中的每一个是氢或(1-4C)烷基，或R.sup.4和R.sup.5共同形成一个(1-4C)烷基基团，L.sup.2包括(1-4C)烷基；M.sup.3可以是到X的直接连接；X包括磺酰基；Q包括萘基和杂环基；或其药学上可接受的盐；它们的制备方法，含有它们的药物组合物以及它们作为抗血栓或抗凝血剂的用途。

  公开号：

  US05965559A1
• 作为产物：
  描述：

  1-Boc-4-哌啶甲酸 以63%的产率得到1-(6-chloronaphthalene-2-sulfonyl)-4-(4-piperidinecarbonyl)piperazine
  参考文献：
  名称：

  Aminoheterocyclic derivatives as antithrombotic or anticoagulant

  摘要：

  该发明涉及式(I)的化合物，其中G.sup.1、G.sup.2和G.sup.6中的每一个是CH或n；m为1或2；R.sup.1包括氢、卤代和(1-4C)烷基；M.sup.1是式的一个基团：NR.sup.2 -L.sup.1 -T.sup.1 R.sup.3，在其中R.sup.2和R.sup.3共同形成一个(1-4C)烷基基团，L.sup.1包括(1-4C)烷基，T.sup.1为CH或N；A可以是直接连接；M.sup.2是式的一个基团：(T.sup.2 R.sup.4).sub.r -L.sup.2 T.sup.3 R.sup.5，在其中R为0或1，T.sup.2和T.sup.3中的每一个是CH或N，R.sup.4和R.sup.5中的每一个是氢或(1-4C)烷基，或R.sup.4和R.sup.5共同形成一个(1-4C)烷基基团，L.sup.2包括(1-4C)烷基；M.sup.3可以是到X的直接连接；X包括磺酰基；Q包括萘基和杂环基；或其药学上可接受的盐；它们的制备方法，含有它们的药物组合物以及它们作为抗血栓或抗凝血剂的用途。

  公开号：

  US05965559A1

文献信息

• Sulfonamide derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06359134B1

  公开（公告）日：2002-03-19

  The present invention provides compounds which specifically inhibit FXa, which are effective when orally administered and which are useful as a safe medicine for the prevention or treatment of diseases caused by thrombus or infarction. Compounds of this invention are piperazinones of the formula: wherein R1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; the ring A is an optionally substituted divalent nitrogen-containing heterocyclic group, in addition to being substituted by the group of the formula: and the group of the formula: Y is an optionally substituted divalent hydrocarbon group or an optionally substituted divalent heterocyclic group; X is a direct bond or an optionally substituted alkylene chain; Z is (1) an amino group substituted with an optionally substituted hydrocarbon group, (2) an optionally substituted imino group or (3) an optionally substituted nitrogen-containing heterocyclic group; provided that when X is a direct bond and Z is an optionally substituted 6-membered nitrogen-containing aromatic heterocyclic group, Y is an optionally substituted divalent hydrocarbon group or an optionally substituted divalent unsaturated heterocyclic group; or a salt thereof.

  本发明提供了一种化合物，该化合物特异性地抑制FXa，口服给药有效，并且用作预防或治疗由血栓或梗死引起的疾病的药物是安全的。本发明的化合物是哌嗪酮的公式： 其中R1是可选地取代的烃基或可选地取代的杂环基；环A是除了被公式：的基团取代的之外的可选地取代的二价含氮杂环基： 和公式的基团： Y是可选地取代的二价烃基或可选地取代的二价杂环基；X是直接键或可选地取代的亚烷基链；Z是（1）与可选地取代的烃基取代的氨基，（2）可选地取代的亚氨基或（3）可选地取代的含氮杂环基；当X是直接键并且Z是可选地取代的6-成员含氮芳香杂环基时，Y是可选地取代的二价烃基或可选地取代的二价不饱和杂环基；或其盐。
• Use of oxido-squalene cyclase inhibitors to lower blood cholesterol
  申请人：Zeneca Limited

  公开号：US06090813A1

  公开（公告）日：2000-07-18

  A compound of formula (I), or a pharmaceutically acceptable salt thereof, wherein G, T.sup.1, T.sup.2 and T.sup.3 are selected from CH and N; provided that T.sup.2 and T.sup.3 are not both CH; A is selected from a direct bond and (1-4C)alkylene; X is selected from oxy, thio, sulphinyl, sulphonyl, carbonyl, carbonylamino, N-di-(1-6C)alkylcarbonylamino, sulphonamido, methylene, (1-4C)alkylmethylene and di-(1-6C)alkylmethylene, and when T.sup.2 is CH, X may also be selected from aminosulphonyl and oxycarbonyl; and Q is selected from (5-7C)cycloalkyl, a heterocyclic moiety containing up to 4 heteroatoms selected from nitrogen, oxygen and sulphur, phenyl, naphthyl, phenyl(1-4C)alkyl and phenyl(2-6C)alkenyl; for the manufacture of a medicament for treating diseases or medical conditions in which an inhibition of oxido-squalene cyclase is desirable. ##STR1##

  化合物的结构式（I），或其药学上可接受的盐，其中G、T.sup.1、T.sup.2和T.sup.3选自CH和N；但要求T.sup.2和T.sup.3不能同时为CH；A选自直链键和（1-4C）烷基；X选自氧、硫、亚砜、磺酰、羰基、羰胺基、N-二（1-6C）烷基羰胺基、磺酰胺基、亚甲基、（1-4C）烷基亚甲基和二（1-6C）烷基亚甲基，当T.sup.2为CH时，X还可选自氨基磺酰和氧羰基；Q选自（5-7C）环烷基、含有最多4个氮、氧和硫杂原子的杂环基团、苯基、萘基、苯基（1-4C）烷基和苯基（2-6C）烯基；用于制备一种治疗需要氧化-角鲨烯环化酶抑制的药物，用于治疗疾病或医疗状况。
• Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents
  申请人：ZENECA LIMITED

  公开号：US20020119968A1

  公开（公告）日：2002-08-29

  The invention concerns compounds of formula (I) 1 wherein each of G 1 , G 2 and G 3 is CH or N; m is 1 or 2; R 1 includes hydrogen, halogeno and (1-4C)alkyl; M 1 is a group of the formula: NR 2 —L 1 —T 1 R 3 in which R 2 and R 3 together form a (1-4C)alkylene group, L 1 includes (1-4C)alkylene, and T 1 is CH or N; A may be a direct link; M 2 is a group of the formula: (T 2 R 4 ) r —L 2 —T 3 R 5 in which r is 0 or 1, each of T 2 and T 3 is CH or N, each of R 4 and R 5 is hydrogen or (1-4C)alkyl, or R 4 and R 5 together form a (1-4C)alkylene group, and L 2 includes (1-4C)alkylene; M 3 may be a direct link to X; X includes sulphonyl; and Q includes naphthyl and a heterocyclic moiety; or a pharmaceutically-acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use as antithrombotic or anticoagulant agents.

  本发明涉及式(I)的化合物，其中G1、G2和G3中的每一个是CH或N；m为1或2；R1包括氢、卤素和(1-4C)烷基；M1是公式NR2-L1-T1R3的基团，在其中R2和R3共同形成一个(1-4C)烷基，L1包括(1-4C)烷基，T1是CH或N；A可以是直接连接；M2是公式(T2R4)r-L2-T3R5的基团，在其中r为0或1，T2和T3中的每一个是CH或N，R4和R5中的每一个是氢或(1-4C)烷基，或者R4和R5共同形成一个(1-4C)烷基，L2包括(1-4C)烷基；M3可以是直接连接到X；X包括磺酰基；Q包括萘基和杂环基；或其药学上可接受的盐；制备它们的方法，含有它们的制药组合物以及它们作为抗血栓或抗凝剂剂的用途。
• Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa
  申请人：Alstermark Christer

  公开号：US20080214495A1

  公开（公告）日：2008-09-04

  The invention relates to compounds of formula (I), wherein R 1 and R 3 are independently selected from carbon and nitrogen; R 2 is oxo or thioxo; n is 0, 1 or 2; each R 10 is independently selected from hydrogen and C 1-3 alkyl; R 4 and R 5 are each selected from carbon and nitrogen, wherein at least one of R 4 and R 5 is nitrogen; R 6 is hydrogen or oxo; R 7 is an aliphatic, partially saturated or aromatic carbocyclic ring, said carbocyclic ring having 0, 1 or 2 hetero nitrogen; m is 0, 1 or 2; each R 11 is independently selected from hydrogen, hydroxy, oxo, C 1-5 alkyl, carboxy, hydroxyC 1-5 alkyl, carboxyC 1-5 alkyl, C 1-5 alkoxy-oxoC 1-5 alkyl, carbamoyl, C 1-5 alkylcarbamoyl, di (C 1-5 alkyl)carbamoyl, carbamoylC 1-4 alkyl,C 1-5 alkylcarbamoylC 1-4 alkyl, di(C 1-5 alkyl)carbamoylC 1-4 alkyl, hydroxyC 1-5 alkylcarbamoyl, C 1-5 alkoxyC 1-5 alkylcarbamoyl, hydroxyC 1-5 alkylcarbamoylC 1-4 alkyl, C 1-5 alkoxyC 1-5 alkylcarbamoylC 1-4 alkyl, CONR 80 (CH 2 ) x S(O) p R90, CONH(CH 2 ) q NR 100 R 100 , —C 1-5 alkyl-Y 1 , —COOCHR 170 R 180 and —CON R 170 R 180 ; R 8 is a bond, C 1-4 alkylene or C 2-6 alkenylene; R 9 is an aromatic ring system having 0, 1 or 2 hetero atoms; wherein R 9 is substituted by 0 or 1 halogen; or a pharmaceutically acceptable salt thereof, said compounds possess antithrombotic and anticoagulant properties and are accordingly useful in methods of treatment of humans or animals. The invention also relates to processes for the preparation of the compounds, to their use, to pharmaceutical compositions comprising them, to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect, and to combinations comprising them.

  本发明涉及式(I)的化合物，其中R1和R3独立选择自碳和氮；R2为氧或硫氧；n为0、1或2；每个R10独立选择自氢和C1-3烷基；R4和R5各自选择自碳和氮，其中至少一个是氮；R6为氢或氧；R7为脂肪族、部分饱和或芳香碳环，所述碳环具有0、1或2个杂原子氮；m为0、1或2；每个R11独立选择自氢、羟基、氧、C1-5烷基、羧基、羟基C1-5烷基、羧基C1-5烷基、C1-5烷氧基-氧代C1-5烷基、氨基、C1-5烷基氨基、二(C1-5烷基)氨基、氨基C1-4烷基、C1-5烷基氨基C1-4烷基、二(C1-5烷基)氨基C1-4烷基、羟基C1-5烷基氨基、C1-5烷氧基C1-5烷基氨基、羟基C1-5烷基氨基C1-4烷基、C1-5烷氧基C1-5烷基氨基C1-4烷基、CONR80(CH2)xS(O)pR90、CONH(CH2)qNR100R100、-C1-5烷基-Y1、-COOCHR170R180和-CON R170R180；R8为键、C1-4烷基或C2-6烯基；R9为具有0、1或2个杂原子的芳香环系；其中R9由0或1个卤素取代；或其药学上可接受的盐，所述化合物具有抗血栓和抗凝作用，因此在人类或动物的治疗方法中有用。本发明还涉及制备该化合物的方法、它们的用途、包含它们的制药组合物、用于制造用于产生抗血栓或抗凝效应的药物的制剂的用途以及包含它们的组合物。
• AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS
  申请人：ZENECA LIMITED

  公开号：EP0783500B1

  公开（公告）日：1998-07-22