2-tert-butoxycarbonylmethoxyimino-2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid | 76038-91-0

• 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: 2-tert-butoxycarbonylmethoxyimino-2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid
• 英文别名: 2-(t-butoxycarbonylmethoxyimino)-2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid；2-t-butoxycarbonylmethoxyimino-2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid；(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
• CAS: 76038-91-0
• 化学式: C₁₀H₁₄N₄O₅S
• 分子量: 302.311
• InChiKey: YOSFGDLBDAFZMZ-MLPAPPSSSA-N

物化性质

• 沸点：
  483.7±47.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  165
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-tert-butoxycarbonylmethoxyimino-2-(5-amino-1,2,4-thiadiazol-3-yl)acetic acid 、 (6R)-3-acetoacetyloxymethyl-7t-amino-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 生成 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  TEHRATI, TSUTOMU;SAKANEH, KADZUO;GOTO, DZIRO

  摘要：

  DOI：

文献信息

• Cephem and cepham compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04390534A1

  公开（公告）日：1983-06-28

  This invention relates to novel 7-thiadiazol-oxyimino-3-cephem and cepham 4-carboxylic acid compounds of high antimicrobial activity.

  这项发明涉及具有高抗微生物活性的新型7-噻二唑氧肟基-3-头孢菌素和头孢菌素-4-羧酸化合物。
• 7-Amino-thiadiazole oxyimino derivatives of cephem and cepham compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04381299A1

  公开（公告）日：1983-04-26

  This invention relates to new cephem and cepham compounds of high antimicrobial activity, and more particularly to new 7-amino-thiadiazole oxyimino derivatives of cephem and cepham compounds.

  这项发明涉及具有高抗菌活性的新头孢菌素和头孢菌素化合物，更具体地说是新的头孢菌素和头孢菌素化合物的7-氨基噻二唑氧亚胺衍生物。
• 7-Amino-thia-diazole oxyimino derivatives of cephem and cephem compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04332798A1

  公开（公告）日：1982-06-01

  7-Substituted-3-cephem and cepham-4-carboxylic acids of formula (I) ##STR1## wherein R.sup.1 is amino or a protected amino, R.sup.2 is hydrogen, acyl, aryl which may be substituted with suitable substituent(s), lower alkyl substituted with suitable substituent(s), lower alkenyl, lower alkynyl, cycloalkyl which may be substituted with suitable substituent(s), cyclo(lower)alkenyl, or S- or O-containing 5-membered heterocyclic group substituted with oxo group(s). R.sup.3 is hydrogen or lower alkyl, R.sup.4 is hydrogen; acyloxy(lower)alkyl; acylthio(lower)alkyl pyridinium(lower)alkyl which may be substituted with suitable substituent(s); a heterocyclicthio(lower)alkyl which may be substituted with suitable substituent(s); lower alkyl; halogen; or hydroxy; and R.sup.5 is carboxy or a protected carboxy wherein R.sup.5 is COO-- when R.sup.4 is pyridinium(lower)alkyl which may be substituted with suitable substituent(s), and the heavy solid line means single or double bond, have useful antibiotic properties.

  公式(I)的7-取代-3-头孢菌素和头孢烯-4-羧酸如下： 其中R.sup.1是氨基或受保护的氨基，R.sup.2是氢、酰基、芳基，可能被适当取代的取代基、被适当取代的低烷基、被适当取代的低烯基、被适当取代的低炔基、可能被适当取代的环烷基、环（低）烯基，或者含有氧或硫的5-成员杂环基，被氧代基取代。R.sup.3是氢或低烷基，R.sup.4是氢、酰氧基（低）烷基、硫酰基（低）烷基、吡啶基（低）烷基，可能被适当取代的杂环硫基（低）烷基，被适当取代的低烷基、卤素或羟基；R.sup.5是羧基或受保护的羧基，其中当R.sup.4是可能被适当取代的吡啶基（低）烷基时，R.sup.5是COO--，而粗实线表示单键或双键，具有有用的抗生素性能。
• 3-(Propynyltetrazol)thiomethyl-3-cephems
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04405617A1

  公开（公告）日：1983-09-20

  This invention relates to a new cephem compound of the formula: ##STR1## wherein R.sup.1 is amino or a substituted amino group; R.sup.2 is carboxy or a protected carboxy group; R.sup.3 is a tetrazolyl group having a lower alkynyl group; and X is --S-- or ##STR2## and pharmaceutically acceptable salts thereof, of high antimicrobial activity.

  本发明涉及一种新的头孢烯化合物，其结构式为：##STR1##其中R1是氨基或取代氨基基团；R2是羧基或保护的羧基基团；R3是具有低炔基的噻唑基团；X是--S--或##STR2##以及具有高抗菌活性的药学上可接受的盐。
• Cephem compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04487768A1

  公开（公告）日：1984-12-11

  The invention relates to novel compounds of high antimicrobial activity of the formula: ##STR1## wherein R.sup.1 is amino or protected amino, R.sup.2 is carboxy(lower)alkyl or protected carboxy(lower)alkyl, and R.sup.3 is carboxy or protected carboxy, and a pharmaceutically acceptable salt thereof.

  该发明涉及高抗微生物活性的新化合物，其化学式为：##STR1## 其中R.sup.1为氨基或保护氨基，R.sup.2为羧基（较低）烷基或保护羧基（较低）烷基，R.sup.3为羧基或保护羧基，以及其药学上可接受的盐。