1-[1-(tert-butoxycarbonyl)-4-hydroxypiperidin-4-ylmethyl]-4-(7-chloro-2H-benzopyran-3-sulfonyl)-2-piperazinone | 239073-09-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-[1-(tert-butoxycarbonyl)-4-hydroxypiperidin-4-ylmethyl]-4-(7-chloro-2H-benzopyran-3-sulfonyl)-2-piperazinone
• 英文别名: tert-butyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]-4-hydroxypiperidine-1-carboxylate
• CAS: 239073-09-7
• 化学式: C₂₄H₃₂ClN₃O₇S
• 分子量: 542.053
• InChiKey: XTOIDYHLQXVDRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-[1-(tert-butoxycarbonyl)-4-hydroxypiperidin-4-ylmethyl]-4-(7-chloro-2H-benzopyran-3-sulfonyl)-2-piperazinone 、 盐酸 在 4-氯吡啶盐酸盐 、 三乙胺 、 乙醇 、 silica gel 、 二氯甲烷 、 甲醇 作用下， 以 乙酸乙酯 、 甲醇 为溶剂， 反应 15.5h， 以to give colorless solid of the title compound (63 mg)的产率得到4-(7-chloro-2H-benzopyran-3-sulfonyl)-1-[4-hydroxy-1-(pyridin-4-yl)piperidin-4-ylmethyl]-2-piperazinone
  参考文献：
  名称：

  Sulfonamide derivatives, their production and use

  摘要：

  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。

  公开号：

  US20020193382A1

文献信息

• Sulfonamide derivatives, processes for producing the same and utilization thereof
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06403595B1

  公开（公告）日：2002-06-11

  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 are useful as anti-coagulants.

  本发明提供了一种由以下公式表示的化合物或其盐：其中R1是可选取的取代的碳氢基团或可选取的取代的杂环基团，环A是可选取的取代的含氮双价杂环基团，X'是可选取的取代的烷基链，Y是可选取的取代的双价环状基团，X是化学键或可选取的取代的烷基链，Z是（1）可选取的取代的氨基团，（2）可选取的取代的咪唑基团或（3）可选取的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，并且适用于作为抗凝剂。
• 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
• 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。