1-carboxymethyl-pyridinium | 65100-61-0

• 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-carboxymethyl-pyridinium
• 英文别名: 1-Carboxymethylpyridiniumion；Carboxymethyl-pyridinium；1-(Carboxymethyl)pyridin-1-ium；2-pyridin-1-ium-1-ylacetic acid
• CAS: 65100-61-0
• 化学式: C₇H₈NO₂
• mdl: MFCD00983692
• 分子量: 138.146
• InChiKey: GJJPLKJBULCRQI-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  41.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-carboxymethyl-pyridinium 在 甲烷磺酸 、 亚磷酸 、 三氯氧磷 、 盐酸 作用下， 以 水 为溶剂， 生成 (1-Hydroxy-1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid
  参考文献：
  名称：

  亚甲基双膦酸酯作为HIV RT磷酸分解活性的抑制剂。

  摘要：

  进行了36种亚甲基双膦酸酯（BPs）作为天然和耐药形式的HIV-1逆转录酶（RT）的磷酸水解抑制剂的结构功能分析。结果表明，随着BPs对磷酸分解活性的抑制潜能的增加，其抑制RT催化的DNA延伸的能力也随之增强。在本文中，我们报道了胸苷类似物突变（TAM）对双膦酸盐的活性以及BPs的某些结构特征的影响，从而使它们能够维持对核苷类似物治疗具有抗性的酶的抑制活性。我们估计了Mg（2 +）-配位基团结构，连接基和芳香族药效团对BPs抑制潜能的影响。根据31个BP SAR，

  DOI：

  10.1016/j.biochi.2016.05.012

文献信息

• INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Shimizu Kazuo

  公开号：US20120015972A1

  公开（公告）日：2012-01-19

  The present invention provides compounds useful as agents for the prevention or treatment of a disease associated with abnormal serum uric acid level and the like. That is, the present invention relates to indolizine derivatives represented by the following formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, salts thereof or the like. In the formula, ring U represents aryl or heteroaryl; R 1 represents halogen, a hydroxy group or the like; R 2 represents halogen, a hydroxy group, alkyl, alkoxy, alkyl substituted by fluorine, alkoxy substituted by fluorine or the like; m represents a number from 0 to 2; n represents a number from 0 to 3; and R 3 represents hydrogen, fluorine or the like.

  本发明提供了作为与异常血清尿酸水平相关的疾病的预防或治疗剂的化合物。也就是说，本发明涉及由以下式（I）所表示的吲哚啉衍生物，具有黄嘌呤氧化酶抑制活性，并且作为与血清尿酸水平异常相关的疾病的预防或治疗剂，其前药，其盐或类似物。在该式中，环U代表芳基或杂环芳基；R1代表卤素，羟基或类似物；R2代表卤素，羟基，烷基，烷氧基，氟取代的烷基，氟取代的烷氧基或类似物；m代表0到2之间的数字；n代表0到3之间的数字；R3代表氢，氟或类似物。
• Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors
  申请人：Desarbre Eric

  公开号：US20100056478A1

  公开（公告）日：2010-03-04

  A pharmaceutically composition, comprising a combination of an antibiotically active compound of the formula (I): with a β-lactamase inhibitor of one of the formulae (II) to (XIII) are active against Gram-negative bacteria, in particular such bacteria which have become resistant against antibiotics such as aztreonam, carumonam and tigemonam. Optionally the compositions may comprise another β-lactamase inhibitor of one of the formulae (II) to (XIII), particularly of formula (V) or formula (VI).

  一种药物组合物，包括公式（I）的抗生素活性化合物与公式（II）至（XIII）中的β-内酰胺酶抑制剂的组合，对革兰氏阴性菌具有活性，特别是对已经对阿奇霉素、卡鲁莫南和替吉奴等抗生素产生耐药性的细菌具有活性。该组合物还可以包含公式（II）至（XIII）中的另一种β-内酰胺酶抑制剂，特别是公式（V）或公式（VI）的β-内酰胺酶抑制剂。
• USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS
  申请人：Basilea Pharmaceutica AG

  公开号：US20150031662A1

  公开（公告）日：2015-01-29

  A pharmaceutical composition, comprising a combination of an antibiotically active compound of the formula (I): with a β-lactamase inhibitor of one of the formulae (II) to (XIII) are active against Gram-negative bacteria, in particular such bacteria which have become resistant against antibiotics such as aztreonam, carumonam and tigemonam. Optionally the compositions may comprise another β-lactamase inhibitor of one of the formulae (II) to (XIII), particularly of formula (V) or formula (VI).

  一种药物组合物，包括式(I)的抗生素活性化合物与式(II)至式(XIII)中的一种β-内酰胺酶抑制剂的组合，对革兰氏阴性菌有活性，特别是对已经对阿奇霉素、卡鲁莫纳和替莫纳等抗生素产生耐药性的细菌有活性。该组合物可以包括另一种式(II)至式(XIII)中的β-内酰胺酶抑制剂，特别是式(V)或式(VI)的β-内酰胺酶抑制剂。
• (AZA)INDOLIZINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Iizuka Masato

  公开号：US20130217878A1

  公开（公告）日：2013-08-22

  (Aza)indolizine derivatives represented by Formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, salts thereof or the like. In Formula (I), 0 to 2 of X 1 , X 2 , X 3 and X 4 are a nitrogen atom and the others are CR 1 ; one of T 1 and T 2 represents cyano and the other represents a group represented by Formula (A), with the proviso that when T 1 is cyano, at least one of X 1 to X 4 is a nitrogen atom; R 1 independently represents a hydrogen atom, a halogen atom, a hydroxy group, C 1-6 alkyl, C 1-6 alkoxy or the like; ring U represents a benzene ring or the like; m represents integral number from 0 to 2; R 2 independently represents a fluorine atom, a hydroxy group or the like.

  公式（I）表示的Aza吲哚啉衍生物具有黄嘌呤氧化酶抑制活性，并可用作预防或治疗与血清尿酸水平异常相关的疾病的药物，其前药，盐或类似物。在公式（I）中，X1，X2，X3和X4中的0至2个是氮原子，其余为CR1；T1和T2中的一个表示氰基，另一个表示由公式（A）表示的基团，但是当T1是氰基时，X1至X4中至少有一个是氮原子；R1独立地表示氢原子，卤素原子，羟基，C1-6烷基，C1-6烷氧基或类似物；环U表示苯环或类似物；m表示从0到2的整数；R2独立地表示氟原子，羟基或类似物。
• PROCESSES FOR PREPARING L-ALKYL-3-ALKYL-PYRIDINIUM BROMIDE AND USES THEREOF AS ADDITIVES IN ELECTROCHEMICAL CELLS
  申请人：BROMINE COMPOUNDS LTD.

  公开号：US20150372351A1

  公开（公告）日：2015-12-24

  The invention relates to the use of at least one 1-alkyl-3-alkyl-pyridinium halide, in particular 1-alkyl-3-methyl-pyridinium bromide, as an additive in bromine-generating electrochemical cells, such as zinc/bromine cells. Processes for preparing 1-alkyl-3-methyl-pyridinium bromide and concentrated aqueous solutions comprising same for use as additives in the aforementioned cells, are also disclosed.

  本发明涉及至少使用一种1-烷基-3-烷基-吡啶盐酸盐，特别是1-烷基-3-甲基-吡啶溴化物，作为溴化物生成的电化学电池，例如锌/溴电池中的添加剂。还公开了制备1-烷基-3-甲基-吡啶溴化物和包含其的浓缩水溶液，用作上述电池中的添加剂的方法。

表征谱图