1-(tert-butoxycarbonyl)-4-[4-(6-chloro-2-naphthalenesulfonyl)-2-oxo-1-piperazinylmethyl]isonipecotinic acid | 239074-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(tert-butoxycarbonyl)-4-[4-(6-chloro-2-naphthalenesulfonyl)-2-oxo-1-piperazinylmethyl]isonipecotinic acid
• 英文别名: 4-[[4-(6-Chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
• CAS: 239074-02-3
• 化学式: C₂₆H₃₂ClN₃O₇S
• 分子量: 566.075
• InChiKey: KRVAPJUKDNXXKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-[1,4-bis(tert-butoxycarbonyl)-4-piperidylmethyl]-4-(6-chloronaphthalene-2-sulfonyl)-2-piperazinone 、 二碳酸二叔丁酯 在 sodium hydroxide 、 溶剂黄146 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 1-(tert-butoxycarbonyl)-4-[4-(6-chloro-2-naphthalenesulfonyl)-2-oxo-1-piperazinylmethyl]isonipecotinic acid
  参考文献：
  名称：

  CARBAMATE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF

  摘要：

  公开号：

  EP1340753B1

文献信息

• Sulfonamide derivatives, their production and use
  申请人：——

  公开号：US20020193382A1

  公开（公告）日：2002-12-19

  The present invention is to provide a compound or a salt thereof represented by the formula: 1 wherein R 1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, the ring A is an optionally substituted divalent nitrogen-containing heterocyclic group, X′ is an optionally substituted alkylene chain, Y is an optionally substituted divalent cyclic group, X is a chemical bond or an optionally substituted alkylene chain, and Z is (1)an optionally substituted amino group, (2) an optionally substituted imidoyl group or (3) an optionally substituted nitrogen-containing heterocyclic group, or a pro-drug thereof, which have activated coagulation factor X inhibitory activity and which is useful as anti-coagulant.

  本发明提供了一种化合物或其盐，其化学式为1，其中R1是可选取代的烃基或可选取代的杂环基，环A是可选取代的含氮双价杂环基，X'是可选取代的烷基链，Y是可选取代的双价环状基团，X是化学键或可选取代的烷基链，Z是（1）可选取代的氨基，（2）可选取代的咪唑基或（3）可选取代的含氮杂环基团，或其前药，具有活化凝血因子X抑制活性，可用作抗凝剂。
• Carbamate derivatives, process for producing the same and use thereof
  申请人：——

  公开号：US20040038986A1

  公开（公告）日：2004-02-26

  Novel carbamate derivatives which are useful as drugs because of inhibiting activated blood coagulation factor X and thus exerting an anticoagulant effect. Compounds represented by the formula: 1 wherein R 1 represents a group represented by the formula: 2 (wherein Y 1 represents CH═CH, etc.), which may be substituted, etc.; the ring A represents an oxo-substituted nitrogen-containing heterocyclic ring which may be further substituted; R 2 represents a hydrogen atom, optionally substituted C 1-4 alkyl, etc.; R 3 represents optionally substituted C 1-4 alkyl, etc.; and Z represents an optionally substituted nitrogen containing heterocyclic group, etc., or salts thereof.

  这是一种新型的氨基甲酸酯衍生物，由于抑制了激活的血凝血因子X而具有抗凝作用，因此可用作药物。化合物由公式1表示，其中R1表示公式2表示的基团（其中Y1表示CH═CH等），可以被取代等；环A表示氧代氮杂环环，可以进一步被取代；R2表示氢原子，可选取代的C1-4烷基等；R3表示可选取代的C1-4烷基等；Z表示可选取代的含氮杂环基团等，或其盐。
• SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1054005A1

  公开（公告）日：2000-11-22

  The present invention is to provide a compound or a salt thereof represented by 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, X' is an optionally substituted alkylene chain, Y is an optionally substituted divalent cyclic group, X is a chemical bond or an optionally substituted alkylene chain, and Z is (1)an optionally substituted amino group, (2) an optionally substituted imidoyl group or (3) an optionally substituted nitrogen-containing heterocyclic group, or a pro-drug thereof, which have activated coagulation factor X inhibitory activity and which is useful as anti-coagulant.

  本发明旨在提供一种由式表示的化合物或其盐： 其中 R1 是任选取代的烃基或任选取代的杂环基，环 A 是任选取代的二价含氮杂环基，X'是任选取代的亚烷基链，Y 是任选取代的二价环基、X是化学键或任选取代的亚烷基链，Z是(1)任选取代的氨基，(2)任选取代的亚胺酰基或(3)任选取代的含氮杂环基，或其原药，具有活化凝血因子X抑制活性，可用作抗凝剂。
• US6403595B1
  申请人：——

  公开号：US6403595B1

  公开（公告）日：2002-06-11
• US6680312B2
  申请人：——

  公开号：US6680312B2

  公开（公告）日：2004-01-20