((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid | 179755-65-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid
• 英文别名: YM60828；[(({7-[amino(imino)methyl]-2-naphthalenyl}methyl){4-[(1-ethanimidoyl-4-piperidinyl)oxy]phenyl}amino)sulfonyl]acetic acid；[N-[4-[(1-acetoimidoyl-4-piperidyl)oxy]phenyl]-N-[(7-amidino-2-naphthyl)methyl]sulfamoyl]acetic acid；N-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl)-N-[(7-amidino-2-naphthyl)methyl]sulfamoylacetic acid；N-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-N-[(7-amidino-2-naphthyl)methyl]sulfamoylacetic acid；{[(7-Carbamimidoylnaphthalen-2-Yl)methyl][4-({1-[(1e)-Ethanimidoyl]piperidin-4-Yl}oxy)phenyl]sulfamoyl}acetic Acid；2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic acid
• CAS: 179755-65-8；201933-41-7
• 化学式: C₂₇H₃₁N₅O₅S
• 分子量: 537.64
• InChiKey: NPBKHEMDWREFJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  169
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  7-({4-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]anilino}methyl)naphthalene-2-carbonitrile 在 吡啶 、 盐酸 、 羟胺 、 乙酸酐 、 溶剂黄146 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 ((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid
  参考文献：
  名称：

  Design, synthesis and structure–Activity relationships of benzoxazinone-Based factor Xa inhibitors

  摘要：

  A series of benzoxazinone derivatives was designed and synthesized as factor Xa inhibitors. We demonstrated that the naphthyl moiety in the aniline-based compounds I and 2 can be replaced with benzene-fused heterobicycles and biaryls to give factor Xa inhibitors with improved trypsin selectivity. The P4 modifications lead to monoamidines which are moderately active. The benzoxazinones 41-45 are potent against factor Xa, retain the improved trypsin selectivity of the corresponding aniline-based compounds, and show strong antithrombotic effect dose responsively. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00927-7

文献信息

• INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR
  申请人：Gretler Daniel D.

  公开号：US20090048216A1

  公开（公告）日：2009-02-19

  The invention provides methods and compositions for rapid and reversible inhibition of platelet aggregation in human subjects in need thereof by administering compounds of the formula: alone or in combination with a second agent which can be aspirin or a thrombolytic agent.

  该发明提供了一种用于快速和可逆地抑制人体内需要的血小板聚集的方法和组合物，通过给予以下化合物的方式：单独或与第二药物联合使用，第二药物可以是阿司匹林或溶栓剂。
• SORBEFACIENTS
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0966973A1

  公开（公告）日：1999-12-29

  Pharmaceutical compositions for improving the absorption of drugs having poor absorbability in the digestive tract. The compositions contain drugs and anion exchange resins and show excellent absorbability in the digestive tract.

  药物组合物，用于提高消化道内吸收性差的药物的吸收。该组合物包含药物和阴离子交换树脂，能够在消化道内表现出极佳的吸收性。
• MEDICINAL COMPOSITION FOR PERCUTANEOUS ADMINISTRATION
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1043020A1

  公开（公告）日：2000-10-11

  A percutaneously absorbable medicinal composition comprising a percutaneous absorption enhancer and at least one member selected from the group consisting of aromatic amidine derivatives represented by formula (1): salts of the derivatives, solvates of the derivatives, and solvates of salts of the derivatives. The present invention provides a composition which exhibits high percutaneous absorbability, which can maintain an effective blood level for prolonged periods of time, which provides antithrombotic and anticoagulant effects.

  一种经皮吸收的药物组合物，包括经皮吸收增强剂以及选择自式（1）所表示的芳香族酰胺衍生物的至少一种成员：衍生物的盐，衍生物的溶剂，以及衍生物的盐的溶剂。本发明提供了一种组合物，具有高经皮吸收性，可以维持有效的血液水平长时间，具有抗血栓和抗凝血作用。
• NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0798295A1

  公开（公告）日：1997-10-01

  An amidinonaphthyl derivative represented by the following general formula (I) which has a platelet aggregation inhibiting action based on the activated blood coagulation factor X inhibiting action and is useful as an anti-thrombus agent and the like, a salt thereof, an intermediate thereof and a pharmaceutical composition which comprises the amidinonaphthyl derivative. An amidinonaphthyl derivative represented by the following general formula (I) or a pharmaceutically acceptable salt thereof. (symbols in the formula have the following meanings; R1: a hydrogen atom or a group represented by the formula -A-W-R4, A: a group represented by the formula a group represented by the formula or a group represented by the formula -SO2-, X: an oxygen atom or a sulfur atom, W: a single bond or a group represented by the formula -NR5-, R4: a hydroxyl group, a lower alkoxy group, etc., not a hydroxyl group or a lower alkoxy group, R5: a hydrogen atom, a carbamoyl group, a lower alkoxycarbonyl group, etc., R2: a lower alkyl group, R3: a hydrogen atom, a halogen atom, a carboxyl group, B: a lower alkylene group or a carbonyl group, and n: 0 or 1).

  一种由下式通式（I）表示的脒基萘衍生物、其盐、中间体和包含该脒基萘衍生物的药物组合物，该脒基萘衍生物具有基于活化血液凝固因子 X 抑制作用的血小板聚集抑制作用，可用作抗血栓剂等。 由以下通式（I）代表的脒基萘衍生物或其药学上可接受的盐。 (式中符号含义如下； R1：氢原子或由式-A-W-R4 所代表的基团、 A：由式 式所代表的基团 或由式 -SO2- 代表的基团、 X：氧原子或硫原子，W：单键或由式-NR5-代表的基团，R4：羟基、低级烷氧基等，不是羟基或低级烷氧基，R5：氢原子、氨基甲酰基、低级烷氧基羰基等，R2：低级烷基，R3：氢原子、卤素原子、羧基，B：低级亚烷基或羰基，n：0 或 1）。
• PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0953359A1

  公开（公告）日：1999-11-03

  The present invention is directed to a pharmaceutical composition for oral administration, comprising a basic drug, a lipophilic substance, and/or a cyclodextrin. The composition exhibits improved peroral absorption of a basic drug which is difficult to be absorbed by oral administration.

  本发明涉及一种口服药物组合物，其中包括一种碱性药物、一种亲脂性物质和/或一种环糊精。 该组合物改善了难以通过口服吸收的碱性药物的口腔吸收。