L-α-[[[(4-methoxyphenyl)-methoxy]carbonyl]amino]-2-thiopheneacetic acid | 59966-06-2

• 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: L-α-[[[(4-methoxyphenyl)-methoxy]carbonyl]amino]-2-thiopheneacetic acid
• 英文别名: DL-α-[[[(4-methoxyphenyl)methoxy]carbonyl]amino]-2-thiopheneacetic acid；D-α-[[[(4-methoxyphenyl)methoxy]carbonyl]amino]-2-thiopheneacetic acid；(4-methoxy-benzyloxycarbonylamino)-thiophen-2-yl-acetic acid；L-α-[[[A(4-methoxyphenyl)methoxy]carbonyl]amino]-2-thiopheneacetic acid；alpha-[[[(4-Methoxyphenyl)methoxy]carbonyl]amino]-2-thiopheneacetic acid；2-[(4-methoxyphenyl)methoxycarbonylamino]-2-thiophen-2-ylacetic acid
• CAS: 59966-06-2
• 化学式: C₁₅H₁₅NO₅S
• 分子量: 321.354
• InChiKey: PKUNLROVBYCVAV-UHFFFAOYSA-N

物化性质

• 沸点：
  543.4±50.0 °C(Predicted)
• 密度：
  1.355±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  L-α-[[[(4-methoxyphenyl)-methoxy]carbonyl]amino]-2-thiopheneacetic acid 生成 DL-α-[[[(4-methoxyphenyl)methoxy]carbonyl]amino]-2-thiopheneacetic acid, 2,5-dioxo-1-pyrrolidinyl ester
  参考文献：
  名称：

  BREUER, H.;TREUNER, U. D.

  摘要：

  DOI：
• 作为产物：
  描述：

  DL-α-氨基噻吩-2-醋酸 、 4-甲氧基苄氧基羰酰叠氮物 以 1,4-二氧六环 、 水 为溶剂， 生成 L-α-[[[(4-methoxyphenyl)-methoxy]carbonyl]amino]-2-thiopheneacetic acid
  参考文献：
  名称：

  2-(Thiocarbonylamino)acetamido-7.alpha.-methoxy cephalosporanic acid

  摘要：

  下列一般公式的新2-(硫代氨基)乙酰胺基-7.α.-甲氧基头孢菌素酸化合物及其盐，##EQU1## 其中，R为氢、低碳基、苯基-低碳基、三(卤素)低碳基、成盐离子或者##EQU2## R.sub.1为氢、低碳基、环状-低碳基、不饱和环状-低碳基、苯基、取代苯基、呋喃基、噻吩基或吡啶基；R.sub.2和R.sub.4各自为氢或低碳基；R.sub.3为低碳基、苯基或苯基-低碳基；X为氢、低烷酰氧或叠氮基。这些化合物是有用的抗菌剂。

  公开号：

  US03962229A1

文献信息

• 3-Heterothio derivatives of (formylamino)acetylamino-7-alpha-methoxy
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03996216A1

  公开（公告）日：1976-12-07

  3-Heterothio(formylamino)acetylamino cephalosporin derivatives of the general formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion or the group ##STR2## R.sub.1 is hydrogen, lower alkyl, cyclo-lower alkyl, unsaturated cyclo-lower alkyl, phenyl, substituted phenyl, furyl, pyridyl or thienyl; R.sub.2 is a five or six membered nitrogen, sulfur and/or oxygen containing heterocyclic ring system; R.sub.3 is lower alkyl, phenyl or phenyl-lower alkyl; and R.sub.4 is hydrogen or lower alkyl; are useful antibacterial agents.

  3-杂硫（甲酰氨基）乙酰氨基头孢菌素衍生物的一般式##STR1##其中R为氢、较低烷基、苯基较低烷基、三（较低烷基）硅基、三卤乙基、盐形成离子或基团##STR2##R.sub.1为氢、较低烷基、环较低烷基、不饱和环较低烷基、苯基、取代苯基、呋喃基、吡啶基或噻吩基；R.sub.2为含有五元或六元氮、硫和/或氧的杂环戊环系；R.sub.3为较低烷基、苯基或苯基较低烷基；R.sub.4为氢或较低烷基；可用作抗菌剂。
• 3-Triazolylthio derivatives of ureido cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03996217A1

  公开（公告）日：1976-12-07

  Ureido cephalosporin derivatives of the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyllower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group ##STR2## R.sub.1 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl or phenyl-lower alkyl, or certain heterocyclic groups; R.sub.2 is hydrogen or lower alkyl; R.sub.3 is hydrogen or methoxy; R.sub.4 is triazolyl or substituted triazolyl; R.sub.5 is hydrogen or lower alkyl; R.sub.6 is lower alkyl, phenyl, or phenyl-lower alkyl; are disclosed. These compounds are useful as antibacterial agents.

  尿嘧啶头孢菌素衍生物的化学式为##STR1##其中R为氢、较低烷基、苯基较低烷基、二苯基较低烷基、三(较低烷基)硅基、三卤乙基、盐形成离子，或基团##STR2##R.sub.1为氢、较低烷基、环烷基、环烯基、环烷二烯基、苯基、苯基较低烷基、取代苯基或苯基较低烷基，或某些杂环基团；R.sub.2为氢或较低烷基；R.sub.3为氢或甲氧基；R.sub.4为三唑基或取代三唑基；R.sub.5为氢或较低烷基；R.sub.6为较低烷基、苯基或苯基较低烷基。这些化合物可用作抗菌剂。
• Diastereomeric 7-ureidoacetyl cephalosporins. II. 7.BETA.[[[(Aminocarbonyl) amino]-2-thienylacetyl] amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl) thio] methyl]-8-oxo-5-thia-1-azabicyclo [4.2.0] oct-2-ene-2-carboxylic acid.
  作者：H. E. APPLEGATE、C. M. CIMARUSTI、J. E. DOLFINI、W. H. KOSTER、M. A. ONDETTI、W. A. SLUSARCHYK、M. G. YOUNG、H. BREUER、U. D. TREUNER

  DOI：10.7164/antibiotics.31.561

  日期：——

  The synthesis and antibacterial activity in vitro of 7-methoxylated cephalosporins having a thienylureidoacetyl or a thienylglycyl C-7 side-chain are described. Acylation of 7 beta-amino-7-methoxycephems with a novel 2-aminooxazolone hydrochloride under neutral conditions gave the thienylureidoacetyl derivatives in good yield with retention of configuration. 7 beta-[[D-[(Aminocarbonyl)amino]-2-thi

  描述了具有噻吩脲基乙酰基或噻吩基糖基C-7侧链的7-甲氧基化头孢菌素的合成和体外抗菌活性。在中性条件下用新型2-氨基恶唑酮盐酸盐将7个β-氨基-7-甲氧基头孢酰化，得到噻吩脲酰乙酰基衍生物，产率高，并且保留了构型。7β-[[D-[（氨基羰基）氨基] -2-噻吩基乙酰基氨基] -7-甲氧基-3-[[（1-甲基-1H-四唑-5-基）硫代]甲基] -8-氧代。发现-5-thia-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸钠盐（SQ 14,359）在体外具有广谱抗菌活性，尤其是针对产生β-内酰胺酶的细菌生物。
• Carbamoylalkylureido cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04086422A1

  公开（公告）日：1978-04-25

  Carbamoyalkylureido cephalosporins of the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group ##STR2## R.sub.1 is hydrogen or methoxy; A is straight or branched chain alkylene of 1 to 6 carbons; R.sub.2 and R.sub.3 are independently selected from hydrogen and straight chain alkyl of 1 to 4 carbons, or R.sub.2 is hydrogen and R.sub.3 is branched chain alkyl of 3 or 4 carbons, phenyl, benzyl or phenethyl, or R.sub.2 and R.sub.3 taken together with N atom to which they are attached form ##STR3## R.sub.4 is hydrogen or lower alkyl; R.sub.5 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl, substituted phenyl-lower alkyl, or certain heterocyclic groups; R.sub.6 is hydrogen or lower alkyl; R.sub.7 is lower alkyl; and X is hydrogen, lower alkanoyloxy, ##STR4## or certain heterothio groups; are disclosed. These compounds are useful as antibacterial agents.

  卡巴莫基脲基头孢菌素的化学式为##STR1##其中R为氢、较低的烷基、苯基较低的烷基、二苯基较低的烷基、三(较低的烷基)硅基、三卤乙基、形成盐的离子，或者是##STR2##R.sub.1为氢或甲氧基；A为1至6个碳原子的直链或支链烷基；R.sub.2和R.sub.3分别选自氢和1至4个碳原子的直链烷基，或者R.sub.2为氢且R.sub.3为3或4个碳原子的支链烷基、苯基、苄基或苯乙基，或者R.sub.2和R.sub.3与它们连接的N原子一起形成##STR3##R.sub.4为氢或较低的烷基；R.sub.5为氢、较低的烷基、环烷基、环烯基、环二烯基、苯基、苯基较低的烷基、取代苯基、取代苯基较低的烷基或者某些杂环基团；R.sub.6为氢或较低的烷基；R.sub.7为较低的烷基；X为氢、较低的烷酰氧基、##STR4##或者某些杂硫基团；这些化合物可用作抗菌剂。
• 3-Heterothio substituted 7-(ureido-heteroacetyl) cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04088816A1

  公开（公告）日：1978-05-09

  Compounds of the formula ##STR1## wherein R.sub.1 and R.sub.4 represent certain heterocyclic groups; R.sub.2 is hydrogen or lower alkyl; and R.sub.3 is hydrogen, lower alkyl, phenyl-lower alkyl, substituted phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)stannyl, tri(lower alkyl)silyl, a salt forming ion, or the group ##STR2## wherein R is lower alkyl, phenyl, phenyl-lower alkyl, or substituted phenyl and phenyl-lower alkyl are disclosed. These compounds are useful as antibacterial agents.

  化合物的公式为##STR1##其中R.sub.1和R.sub.4代表某些杂环基团；R.sub.2是氢或较低的烷基；而R.sub.3是氢、较低的烷基、苯基-较低的烷基、取代苯基-较低的烷基、二苯基-较低的烷基、三（较低的烷基）锡基、三（较低的烷基）硅基、盐形成离子，或者是##STR2##其中R是较低的烷基、苯基、苯基-较低的烷基或取代苯基，而苯基-较低的烷基。这些化合物可用作抗菌剂。