7-hydroxynaphthalene-2-sulfonic acid sodium salt | 135-55-7

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-hydroxynaphthalene-2-sulfonic acid sodium salt
• 英文别名: sodium 2-hydroxynaphthalene-7-sulfonate；sodium 7-hydroxynaphthalene-2-sulphonate；7-hydroxynaphthalene-2-sulfonic acid,sodium salt；2-naphthol-7-sulfonic acid, sodium salt；Natrium-；Sodium;7-sulfonaphthalen-2-olate；sodium;7-sulfonaphthalen-2-olate
• CAS: 135-55-7
• 化学式: C₁₀H₇O₄S*Na
• 分子量: 246.219
• InChiKey: IVXSQYUPCUOMRV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.55
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2908999090
• 危险性防范说明：
  P233,P260,P261,P264,P271,P280,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  7-hydroxynaphthalene-2-sulfonic acid sodium salt 在 sodium hydroxide 、 五氯化磷 、 potassium carbonate 、 三乙胺 、 三氟乙酸 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 75.0h， 生成 2-[<1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl>-7-methoxynaphthalen-2-ylsulfonylamino]-N-acetic acid
  参考文献：
  名称：

  Design and Structure−Activity Relationships of Potent and Selective Inhibitors of Blood Coagulation Factor Xa

  摘要：

  The discovery of a series of non-peptide factor Xa (FXa) inhibitors incorporating 3-(S)-amino-2-pyrrolidinone as a central template is described. After identifying compound 4, improvements in in vitro potency involved modifications of the liphophilic group and optimizing the angle of presentation of the amidine group to the S1 pocket of FXa. These studies ultimately led to compound RPR120844, a potent inhibitor of FXa (Ki = 7 nM) which shows selectivity for FXa over trypsin, thrombin, and several fibrinolytic serine proteinases. RPR120844 is an effective anticoagulant in both the rat model of FeCl2-induced carotid artery thrombosis and the rabbit model of jugular vein thrombus formation.

  DOI：

  10.1021/jm990040h

文献信息

• Heteroaromatic amine thrombin inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US05371091A1

  公开（公告）日：1994-12-06

  Sulfonamide thrombin inhibitors are provided which have the structure ##STR1## including all stereoisomers thereof, wherein n is 1, 2 or 3; m is 0, 1 or 2; R.sup.1 and R.sup.2 are independently H, lower alkyl, cycloalkyl, aryl, heteroaryl or heteroaryl-alkyl, or R.sup.1 and R.sup.2 can be taken together with the N atom to which they are attached to form a 4- to 8-membered ring; R.sup.3 is monocyclic heteroaryl; and R.sup.4 is alkyl, cycloalkyl, aryl, heteroaryl, quinolinyl or tetrahydroquinolinyl, and pharmaceutically acceptable salts thereof.

  磺胺基凝血酶抑制剂具有结构##STR1##，包括其所有立体异构体，其中n为1、2或3；m为0、1或2；R.sup.1和R.sup.2独立地为H、较低的烷基、环烷基、芳基、杂芳基或杂芳基烷基，或R.sup.1和R.sup.2可以与它们连接的N原子一起形成4-至8-成员环；R.sup.3为单环杂芳基；R.sup.4为烷基、环烷基、芳基、杂芳基、喹啉基或四氢喹啉基，以及其药用可接受的盐。
• [EN] SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS<br/>[FR] SULFONAMIDES SUBSTITUÉS UTILES COMME INHIBITEURS DE BCL ANTI-APOPTOTIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012162365A1

  公开（公告）日：2012-11-29

  Disclosed are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein: W and Q and G are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bcl-2 family antiapoptotic proteins for the treatment of cancer; and pharmaceutical compositions comprising such compounds.

  揭示了式（I）的化合物或其药学上可接受的盐，其中：W、Q和G在此处被定义。还揭示了将这些化合物用作Bcl-2家族抗凋亡蛋白的抑制剂以治疗癌症的方法；以及包含这些化合物的药物组合物。
• Sulfonic acid sulfonylamino n-(heteroaralkyl)-azaheterocyclylamide compounds
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06281227B1

  公开（公告）日：2001-08-28

  The compounds of formula I herein exhibit useful pharmacological activity and accordingly are incorporated into pharmaceutical compositions and used in the treatment of patients suffering from certain medical disorders. More specifically, they are inhibitors of the activity of Factor Xa. The present invention is directed to compounds of formula I, compositions containing compounds of formula I, and their use, for treating a patient suffering from, or subject to, a physiological condition which can be ameliorated by the administration of an inhibitor of the activity of Factor Xa.

  本文中的化合物具有有用的药理活性，因此被纳入药物组合物中，并用于治疗患有某些医学疾病的患者。更具体地说，它们是凝血因子Xa活性的抑制剂。本发明涉及具有I式化合物的化合物、含有I式化合物的组合物，以及它们的用途，用于治疗患有或受到生理状况影响的患者，这些生理状况可以通过给予凝血因子Xa活性抑制剂来改善。
• Substituted (sulfinic acid, sulfonic acid, sulfonylamino or
  申请人：Rhone-Poulenc Rorer Pharmaceuticals Inc.

  公开号：US05612353A1

  公开（公告）日：1997-03-18

  The compounds of formula I exhibit useful pharmacological activity and accordingly are incorporated into pharmaceutical compositions and used in the treatment of patients suffering from certain medical disorders. More especially, they are Factor Xa inhibitors. The present invention is directed to compounds of formula I, compositions containing compounds of formula I, and their use, which are for treating a patient suffering from, or subject to, conditions which can be ameliorated by the administration of an inhibitor of Factor Xa.

  公式I的化合物展示出有用的药理活性，因此被纳入药物组合物中，并用于治疗患有某些医学疾病的患者。更具体地说，它们是因子Xa抑制剂。本发明涉及公式I的化合物、含有公式I化合物的组合物以及它们的用途，用于治疗患有或患有可以通过给予因子Xa抑制剂而得到缓解的病患。
• 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。

表征谱图