5-氨基-2-羟甲基苯硼酸盐酸盐

• 分子结构分类: 有机化合物 - 苯类化合物
• 中文名称: 5-氨基-2-羟甲基苯硼酸盐酸盐
• 中文别名: 5-氨基-2-羟甲基苯基硼酸盐酸盐；5-氨基-2-(羟甲基)苯硼酸半酯盐酸盐
• 英文名称: 6-amino-1,3-dihydro-2,1-benzoxaborol-1-ol hydrochloride
• 英文别名: 5-aminoboronophthalide hydrochloride；6-aminobenzo[c][1,2]oxaborol-1(3H)-ol hydrochloride；(5-amino-2-hydroxymethylphenyl)boronic acid hydrochloride dehydrate；5-amino-2-hydroxymethylphenylboronic acid hydrochloride salt；5-amino-2-hydroxymethylphenylboronic acid hydrochloride；6-amino-1-hydroxy-1,2-benzoxaborolane hydrochloride；5A2HMPBA；1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-6-aminium chloride；(1-hydroxy-3H-2,1-benzoxaborol-6-yl)azanium;chloride
• 化学式: C₇H₈BNO₂*ClH
• mdl: MFCD04115645
• 分子量: 185.418
• InChiKey: ZDCBDYGPSUVCOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  55.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氨基-2-羟甲基苯硼酸盐酸盐 在 palladium 10% on activated carbon 吡啶 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 20.0~100.0 ℃ 、344.75 kPa 条件下， 反应 16.5h， 生成 4-formylamino-N-(1-hydroxy-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-benzenesulfonamide
  参考文献：
  名称：

  BORON-CONTAINING SMALL MOLECULES

  摘要：

  这项发明涉及6-取代苯硼酯化合物等物品，以及它们用于治疗细菌感染的用途。

  公开号：

  US20100256092A1

文献信息

• [EN] QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS<br/>[FR] DÉRIVÉS DE QUINAZOLINE UTILISÉS EN TANT QU'INHIBITEURS D'ECTONUCLÉOTIDE PYROPHOSPHATASE/PHOSPHODIESTÉRASE 1
  申请人：RIBOSCIENCE LLC

  公开号：WO2020140001A1

  公开（公告）日：2020-07-02

  The present disclosure provides certain quinazoline compounds that inhibit ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1) enzymatic activity and are therefore useful for the treatment of diseases and conditions modulated at least in part by ENPP1. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本公开提供了一些抑制细胞外核苷酸焦磷酸酶/磷酸二酯酶1（ENPP1）酶活性的喹唑啉化合物，因此对于治疗至少部分受ENPP1调节的疾病和病况是有用的。还提供了含有这些化合物的药物组合物以及制备这些化合物的方法。
• [EN] BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS<br/>[FR] PETITES MOLÉCULES CONTENANT DU BORE ET UTILISABLES EN TANT QU'AGENTS ANTIPROTOZOAIRES
  申请人：ANACOR PHARMACEUTICALS INC

  公开号：WO2011019618A1

  公开（公告）日：2011-02-17

  This invention provides, among other things, novel compounds useful for treating protozoal infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent. The compounds have the following formula: wherein X is selected from the group consisting of substituted phenyl, substituted or unsubstituted heteroaryl and unsubstituted cycloalkyl; R3a is selected from the group consisting of H1 unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkyl and unsubstituted C3 or C4 or C5 or C6 cycloalkyl; R3b is selected from the group consisting of H, unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkyl and unsubstituted C3 or C4 or C5 or C6 cycloalkyl; with the proviso that R3a and R3b, along with the atom to which they are attached, are optionally joined to form a 3 or 4 or 5 or 6 membered ring, with the proviso that R3a and R3b cannot both be H, or a salt thereof.

  这项发明提供了用于治疗原虫感染的新化合物，包含这些化合物的药物组合物，以及这些化合物与至少一种额外治疗有效剂的组合物。这些化合物具有以下结构式：其中X选自取代苯基、取代或未取代杂环芳基和未取代环烷基的组；R3a选自H1未取代的C1或C2或C3或C4或C5或C6烷基和未取代的C3或C4或C5或C6环烷基的组；R3b选自H、未取代的C1或C2或C3或C4或C5或C6烷基和未取代的C3或C4或C5或C6环烷基的组；但R3a和R3b，以及它们连接的原子，可选地结合形成3、4、5或6元环，但R3a和R3b不能同时为H，或其盐。
• [EN] BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS<br/>[FR] PETITES MOLÉCULES CONTENANT DU BORE À TITRE D'AGENTS ANTI-PROTOZOAIRES
  申请人：ANACOR PHARMACEUTICALS INC

  公开号：WO2011019616A1

  公开（公告）日：2011-02-17

  This invention provides, among other things, novel compounds useful for treating protozoal infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent. The compounds are of the following formula: wherein R1 is a member selected from alkyl or aryl or heteroaryl, in which at least one substituent on said alkyl or said aryl or said heteroaryl is optionally substituted with a member selected from halogen, C1 or C2 or C3 or C4 or C5 or C6 unsubstituted alkyl, C1 or C2 or C3or C4 or C5 or C6 unsubstituted alkoxy, halosubstituted C1 or C2 or C3or C4 or C5 or C6 alkyl, halosubstituted C1 or C2 or C3 or C4 or C5 or C6 alkoxy, unsubstituted C1 or C2 or C3 or C4or C5 or C6 alkylthio, unsubstituted phenyl; and X is aryl or heteroaryl, in which one substituent on said aryl or said heteroaryl is a member selected from halogen, unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkyl, unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkoxy, halosubstituted C1 or C2 or C3 or C4 or C5 or C6 alkyl, halosubstituted C1 or C2 or C3 or C4 or C5 or C6 alkoxy, unsubstituted C1 or C2 or C3 or C4 or C5 or C6 alkylthio, unsubstituted phenyl or a salt thereof.

  这项发明提供了用于治疗原虫感染的新化合物，包含这些化合物的制药组合物，以及这些化合物与至少一种额外治疗有效药物的组合。这些化合物具有以下结构式：其中R1是从烷基、芳基或杂环芳基中选择的成员，其中所述烷基、所述芳基或所述杂环芳基上的至少一个取代基可选地被从卤素、未取代的C1、C2、C3、C4、C5或C6烷基、未取代的C1、C2、C3、C4、C5或C6烷氧基、卤代的C1、C2、C3、C4、C5或C6烷基、卤代的C1、C2、C3、C4、C5或C6烷氧基、未取代的C1、C2、C3、C4、C5或C6烷硫基、未取代的苯基中选择的成员取代；X是芳基或杂环芳基，其中所述芳基或所述杂环芳基上的一个取代基是从卤素、未取代的C1、C2、C3、C4、C5或C6烷基、未取代的C1、C2、C3、C4、C5或C6烷氧基、卤代的C1、C2、C3、C4、C5或C6烷基、卤代的C1、C2、C3、C4、C5或C6烷氧基、未取代的C1、C2、C3、C4、C5或C6烷硫基、未取代的苯基或其盐中选择的成员。
• First steps towards conformationally selective artificial lectins: the chair-boat discrimination by molecularly imprinted polymers
  作者：Vincent Lemau de Talancé、Olivier Massinon、Rachid Baati、Alain Wagner、Stéphane P. Vincent

  DOI：10.1039/c2cc35386e

  日期：——

  A series of molecularly imprinted polymers (MIPs) were prepared in the presence of a synthetic galactoside locked in a 1,4B boat conformation. This study demonstrates that, depending on the polymerisation technique, an organic material can selectively bind a carbohydrate in a biologically relevant boat conformation.

  在合成半乳糖苷以 1,4B 舟形构象锁定的情况下，制备了一系列分子印迹聚合物（MIPs）。这项研究表明，根据聚合技术的不同，有机材料可以选择性地结合具有生物相关舟构象的碳水化合物。
• BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS
  申请人：Chen Daitao

  公开号：US20110190235A1

  公开（公告）日：2011-08-04

  This invention provides, among other things, novel compounds useful for treating protozoal infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent.

  本发明提供了用于治疗原虫感染的新型化合物，包括含有这些化合物的制药组合物，以及这些化合物与至少一种额外治疗有效药物的组合。