BAL29880

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: BAL29880
• 英文别名: (1S,5R)-2-[N-(4-{[(2-aminoethyl)amino]carbonylamino}phenyl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid；(1S,5R)-2-[N-(4-{[(2-aminoethyl)amino]carbonylamino}phenyl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0] heptane-6-sulfonic acid；(1S,5R)-2-[[4-(2-aminoethylcarbamoylamino)phenyl]carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
• 化学式: C₁₅H₂₀N₆O₆S
• 分子量: 412.426
• InChiKey: IZHHBASEWCBSMD-NEPJUHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.9
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (1S,5R)-2-[N-(4-{[(2-[(tert-butoxy)carbonylamino]ethyl)amino]-carbonylamino}phenyl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid 在 甲酸 作用下， 反应 1.0h， 生成 BAL29880
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF 2-(PRIMARY/SECONDARY AMINO)HYDROCARBYL)- CARBAMOYL-7-OXO-2,6-DIAZA-BICYCLO[3.2.0.]HEPTANE-6-SULFONIC ACID DERIVATIVES
  [FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS D'ACIDE 2-((AMINO PRIMAIRE/SECONDAIRE)HYDROCARBYL) CARBAMOYL-7-OXO-2,6-DIAZABICYCLO[3.2.0.]HEPTANE-6-SULFONIQUE

  摘要：

  公开号：

  WO2009071638A3

文献信息

• [EN] PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES<br/>[FR] PROCÉDÉ DE FABRICATION D'INTERMÉDIAIRES DE MONOBACTAM PONTÉ
  申请人：BASILEA PHARMACEUTICA AG

  公开号：WO2009037229A1

  公开（公告）日：2009-03-26

  A process for manufacturing a compound of Formula (I) which has cis-conformation and wherein R1 represents a 1-phenyl-C1-C4alkyl or 1-naphthyl-C1-C4alkyl group, wherein the phenyl or naphthyl moiety of R1 is unsubstituted or substituted with one or more C1-C4alkoxy groups and the carbon atoms in 2-, 3-, and/or 4-position of the alkyl part of R1 are, independently of the phenyl or naphthyl moiety of R1 and independently of one another, unsubstituted or substituted with C1-C4alkoxy and/or silyloxy or, preferably, are unsubstituted or substituted with one C1-C4alkoxy group and/or silyloxy group per carbon atom, and R2 represents a C1-C6alkyl group or an unsubstituted or substituted benzyl group, in which process a compound of Formula (II) wherein R3 represents a C1-C6alkyl group or an unsubstituted or substituted benzyl group, and R1 and R2 have the same meaning as in formula (I); is treated with a base at a temperature of 0°C or less in a liquid aprotic solvent for a time period sufficient to obtain the compound of formula (I).

  一种制造具有顺式构象的化合物的方法，其中R1代表1-苯基-C1-C4烷基或1-萘基-C1-C4烷基基团，其中R1的苯基或萘基部分未取代或取代为一个或多个C1-C4烷氧基团，且R1的烷基部分中的第2、3和/或第4位的碳原子，独立于R1的苯基或萘基部分以及彼此独立地，未取代或取代为C1-C4烷氧基和/或硅氧烷基，或者更好地，未取代或取代为每个碳原子一个C1-C4烷氧基和/或硅氧烷基的R2代表C1-C6烷基或未取代或取代的苄基基团，在该方法中，将具有式（II）的化合物在液态非质子溶剂中以0°C或更低的温度用碱处理足够的时间，以获得式（I）的化合物。
• 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。
• Process for the manufacture of bridged monobactam intermediates
  申请人：Muller Marc

  公开号：US20110178291A1

  公开（公告）日：2011-07-21

  A process for manufacturing a compound of Formula (I) which has cis-conformation and wherein R1 represents a 1-phenyl-C 1 -C 4 alkyl or 1-naphthyl-C 1 -C 4 alkyl group, wherein the phenyl or naphthyl moiety of R1 is unsubstituted or substituted with one or more C 1 -C 4 alkoxy groups and the carbon atoms in 2-, 3-, and/or 4-position of the alkyl part of R1 are, independently of the phenyl or naphthyl moiety of R1 and independently of one another, unsubstituted or substituted with C 1 -C 4 alkoxy and/or silyloxy or, preferably, are unsubstituted or substituted with one C 1 -C 4 alkoxy group and/or silyloxy group per carbon atom, and R2 represents a C 1 -C 6 alkyl group or an unsubstituted or substituted benzyl group, in which process a compound of Formula (II) wherein R3 represents a C 1 -C 6 alkyl group or an unsubstituted or substituted benzyl group, and R1 and R2 have the same meaning as in formula (I); is treated with a base at a temperature of 0° C. or less in a liquid aprotic solvent for a time period sufficient to obtain the compound of formula (I).

  制备式(I)化合物的过程，其具有顺式构象，其中R1代表1-苯基-C1-C4烷基或1-萘基-C1-C4烷基基团，其中R1的苯基或萘基部分未取代或取代有一个或多个C1-C4烷氧基团，并且R1的烷基部分中2-，3-和/或4-位置的碳原子，独立于R1的苯基或萘基部分，以及彼此独立地，未取代或取代有C1-C4烷氧基和/或硅烷氧基，或者更好地，未取代或取代有每个碳原子一个C1-C4烷氧基和/或硅烷氧基，而R2代表C1-C6烷基或未取代或取代的苄基基团，在该过程中，式(II)化合物在无极性液体溶剂中，以0℃或更低的温度和碱处理足够时间，以获得式(I)化合物。
• PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES
  申请人：Muller Marc

  公开号：US20130274503A1

  公开（公告）日：2013-10-17

  C1-C6Alkyloxy- or benzyloxy-carbonyl esters of -3-[(E)-(1-phenyl or naphthyl C1-C4alkyl)-imino]-propyl}-amino)-acetic acid, which are intermediates for producing known bridged monobactam compounds useful in the treatment of bacterial infections.

  C1-C6烷氧基或苄氧基羰基酯-3-[(E)-(1-苯基或萘基C1-C4烷基)-亚氨基]-丙基}-氨基乙酸的衍生物是生产已知桥式单巯基环化合物的中间体，用于治疗细菌感染。
• METHODS OF TREATING BACTERIAL INFECTIONS
  申请人：Rampex Pharmaceuticals, Inc.

  公开号：US20150119363A1

  公开（公告）日：2015-04-30

  The present invention relates to compounds, compositions and methods for treating bacterial infections. Embodiments of the present invention include antibiotics and β-lactamase inhibitors to treat resistant infections.

  本发明涉及用于治疗细菌感染的化合物、组合物和方法。本发明的实施例包括抗生素和β-内酰胺酶抑制剂，以治疗耐药性感染。