头孢地尼杂质B | 79350-10-0

• 物质功能分类: 原料药 - 抗生素类药物 - 头孢菌素类药
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 中文名称: 头孢地尼杂质B
• 中文别名: 头孢地尼相关化合物B；头孢地尼相关物质B
• 英文名称: 7-[(2-aminothiazol-4-yl)acetamido]-3-vinyl-3-cephem-4-carboxylic acid
• 英文别名: (6R-trans)-7-[[(2-Amino-4-thiazolyl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid；(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 79350-10-0
• 化学式: C₁₄H₁₄N₄O₄S₂
• 分子量: 366.422
• InChiKey: SGWIRMONYCAJIS-BXKDBHETSA-N

物化性质

• 熔点：
  >220°C (dec.)
• 沸点：
  840.7±65.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  179
• 氢给体数：
  3
• 氢受体数：
  8

安全信息

• 海关编码：
  2934990002

反应信息

• 作为产物：
  描述：

  7-氨基-3-乙烯基-3-头孢环-4-羧酸 在 甲酸 作用下， 以 吡啶 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.5h， 生成 头孢地尼杂质B
  参考文献：
  名称：

  Oral absorption of cephalosporin antibiotics. 1. Synthesis, biological properties and oral bioavailability of 7-arylacetamido-3-chloro cephalosporins in animals

  摘要：

  A number of 7-(arylacetamido)-3-substituted cephalosporins were prepared and tested in animals for oral absorbability. Bioavailability in mice, rats, dogs, and monkeys was determined after oral or parenteral administration. Oral bioavailability of five compounds selected for more intensive study was generally higher than that of penicillin V in all species tested. The results of ED50 testing against experimental infections in mice generally supported the bioavailability studies. Antibiotic activities were evaluated against Gram-positive and Gram-negative organisms with some derivatives expressing in vitro activity similar to cefaclor. The plasma half-life in rats was relatively short and the plasma curves were strongly influenced by probenecid, indicating rapid renal secretion. Some 7-(arylacetamido)-3-chloro cephalosporins are orally absorbed in animals to a greater extent than penicillin V, and antibacterial agent of proven clinical utility.

  DOI：

  10.1021/jm00118a022

文献信息

• CRYSTALLINE HYDRATES OF CEFDINIR CALCIUM SALT
  申请人：Kelly Ron Christopher

  公开号：US20070208173A1

  公开（公告）日：2007-09-06

  Crystalline hydrates of (6R-(6α,7β(Z))-7-((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (cefdinir), calcium salt, ways to make them, compositions comprising them and made with them, and methods of treatment using them are disclosed.

  本文揭示了头孢地尼（cefdinir）的结晶水合物，包括（6R-(6α,7β(Z))-7-((2-氨基-4-噻唑基)(羟肟基)乙酰)氨基)-3-乙烯基-8-氧代-5-硫代-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸的钙盐、制备它们的方法、包含它们的组合物以及使用它们制备的方法。
• Crystalline anhydrous cefdinir and crystalline cefdinir hydrates
  申请人：Law Devalina

  公开号：US20060211676A1

  公开（公告）日：2006-09-21

  A novel crystalline cefdinir anhydrate and novel crystalline cefdinir hydrates, ways to make them and use them, compositions comprising them and made with them, and methods of treatment using them are disclosed.

  本发明揭示了一种新型结晶水合头孢替尼和新型结晶水合物，其制备方法和用途，以及包含它们和由它们制成的组合物，以及使用它们的治疗方法。
• INAMOTO, YOSHIKO;CHIBA, TOSHIYUKI;SAKANE, KAZUO;KAMIMURA, TOSHIAKI;TAKAYA+, YAKUGAKU DZASSI, 110,(1990) N, S. 246-257
  作者：INAMOTO, YOSHIKO、CHIBA, TOSHIYUKI、SAKANE, KAZUO、KAMIMURA, TOSHIAKI、TAKAYA+

  DOI：——

  日期：——
• [EN] CRYSTALLINE ANHYDROUS CEFDINIR AND CRYSTALLINE CEFDINIR HYDRATES<br/>[FR] CEFDINIR ANHYDRE CRISTALLIN ET HYDRATES DE CEFDINIR CRISTALLINS
  申请人：ABBOTT LAB

  公开号：WO2007008673A2

  公开（公告）日：2007-01-18

  [EN] A novel crystalline cefdinir anhydrate and novel crystalline cefdinir hydrates, ways to make them and use them, compositions comprising them and made with them, and methods of treatment using them are disclosed.
  [FR] La présente invention a trait à un nouveau cefdinir anhydre cristallin et de nouveaux hydrates de cefdinir cristallins, leurs procédés de fabrication et d'utilisation, des compositions en comportant et préparées à partir de ceux-ci, et des procédés de traitement les mettant en oeuvre.
• Oral absorption of cephalosporin antibiotics. 1. Synthesis, biological properties and oral bioavailability of 7-arylacetamido-3-chloro cephalosporins in animals
  作者：Stjepan Kukolja、Walter E. Wright、John F. Quay、Janice Pfeil-Doyle、Susan E. Draheim、Judith Ann Eudaly、Roderick J. Johnson、John L. Ott、Fred T. Counter

  DOI：10.1021/jm00118a022

  日期：1988.10

  A number of 7-(arylacetamido)-3-substituted cephalosporins were prepared and tested in animals for oral absorbability. Bioavailability in mice, rats, dogs, and monkeys was determined after oral or parenteral administration. Oral bioavailability of five compounds selected for more intensive study was generally higher than that of penicillin V in all species tested. The results of ED50 testing against experimental infections in mice generally supported the bioavailability studies. Antibiotic activities were evaluated against Gram-positive and Gram-negative organisms with some derivatives expressing in vitro activity similar to cefaclor. The plasma half-life in rats was relatively short and the plasma curves were strongly influenced by probenecid, indicating rapid renal secretion. Some 7-(arylacetamido)-3-chloro cephalosporins are orally absorbed in animals to a greater extent than penicillin V, and antibacterial agent of proven clinical utility.