2-[(氨基羰基)氨基]-2-(噻吩-2-基)乙酸 | 61261-52-7

• 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
• 中文名称: 2-[(氨基羰基)氨基]-2-(噻吩-2-基)乙酸
• 英文名称: 2-[(aminocarbonyl)amino]-2-(thien-2-yl)acetic acid
• 英文别名: 2-Thien-2-yl-2-ureido-acetic acid；DL-α-ureido-2-thiopheneacetic acid；D-thien-2-yl-2-ureidoacetic acid；D-2-(thien-2-yl)-2-ureidoacetic acid；(+/-)-α-[(aminocarbonyl)amino]-2-thiopheneacetic acid；2-(carbamoylamino)-2-thienylacetic acid；D-2-(2-thienyl)-2-ureidoacetic acid；D-2-thienyl-2-ureidoacetic acid；2-(carbamoylamino)-2-thiophen-2-ylacetic acid
• CAS: 61261-52-7
• 化学式: C₇H₈N₂O₃S
• 分子量: 200.218
• InChiKey: AHWDDRCGXFZGPB-UHFFFAOYSA-N

物化性质

• 沸点：
  413.8±45.0 °C(Predicted)
• 密度：
  1.502±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(氨基羰基)氨基]-2-(噻吩-2-基)乙酸 在 氯化亚砜 作用下， 以 乙腈 为溶剂， 生成 2-amino-4-thiophen-2-yl-4H-oxazol-5-one; hydrochloride
  参考文献：
  名称：

  3-Methoxy-2-oxoazetidine derivatives and their production

  摘要：

  新型的3-甲氧基-2-氧代氮杂环丙烷衍生物，其化学式如下所示 ##STR1## 其中R.sub.1是氨基、酰化氨基或保护氨基，作为合成有用化合物的中间体具有价值，这些化合物的化学式如下所示 ##STR2## 其中R.sub.1的含义与上述定义相同，作为治疗细菌感染的药物。

  公开号：

  US04416817A1
• 作为产物：
  描述：

  DL-α-氨基噻吩-2-醋酸 生成 2-[(氨基羰基)氨基]-2-(噻吩-2-基)乙酸
  参考文献：
  名称：

  DOLFINI, J. E.

  摘要：

  DOI：

文献信息

• 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。
• 1-Sulfo-2-oxoazetidine derivatives and their production
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04550105A1

  公开（公告）日：1985-10-29

  Disclosed are compounds of the general formula: ##STR1## wherein R.sub.1 is amino, an acylated amino or a protected amino group, X is hydrogen or methoxy, and R' is hydrogen, R or R.sup.4 wherein R is an organic residue attached to the azetidine ring through a carbon atom therein and R.sub.4 is azido, a halogen, an amino group which may optionally be acylated or a group of the formula --OR.sub.5, ##STR2## or --S--S--R.sub.5 wherein R.sub.5 is an organic residue and n is 0, 1 or 2, and pharmaceutically acceptable salts and esters thereof. The compounds have antimicrobial and/or .beta.-lactamase-inhibitory activity and are of value as drugs for human beings and domesticated animals.

  揭示了一般式为：其中R₁为氨基、酰化氨基或保护氨基，X为氢或甲氧基，R'为氢、R或R⁴，其中R为有机残基，通过其中的碳原子连接到氮杂环上，R⁴为叠氮基、卤素、氨基（可选地酰化）或具有如下结构的基团--OR₅，或--S--S--R₅，其中R₅为有机残基，n为0、1或2，以及其药学上可接受的盐和酯。这些化合物具有抗微生物和/或β-内酰胺酶抑制活性，并且作为人类和驯养动物的药物具有价值。
• 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。
• Oxopyridazinylthiomethyl derivatives of ureidocephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03996218A1

  公开（公告）日：1976-12-07

  Ureido cephalosporin derivatives 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, 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 hydrogen, halogen, lower alkyl, or lower alkoxy; 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.

  本发明涉及尿素头孢菌素衍生物，其化学式为 ## STR1 ## 其中R为氢，低碳基，苯基低碳基，二苯基低碳基，三（低碳基）硅基，三卤乙基，成盐离子或基团 ## STR2 ## R.sub.1为氢，低碳基，环烷基，环烯基，环戊二烯基，苯基，苯基低碳基，取代苯基或苯基低碳基，或某些杂环基团；R.sub.2为氢或低碳基；R.sub.3为氢或甲氧基；R.sub.4为氢，卤素，低碳基或低碳氧基；R.sub.5为氢或低碳基；R.sub.6为低碳基，苯基或苯基低碳基。这些化合物可用作抗菌剂。
• Process for preparing N-carbamoyl-D-thienylglycines
  申请人：Kanegafuchi Kagaku Kogyo Kabushiki Kaisha

  公开号：US04242452A1

  公开（公告）日：1980-12-30

  A process for preparing N-carbamoyl-D-(2-thienyl or 3-thienyl)glycine by subjecting 5-(2-thienyl or 3-thienyl)hydantoin to the action of a cultured broth, cells or treated cells of microorganisms having an ability of stereospecifically hydrolyzing the hydantoin ring. N-carbamoyl-D-(2-thienyl or 3-thienyl)glycine is a useful intermediate for the preparation of medicines and can be readily converted into D-(2-thienyl or 3-thienyl)glycine.

  一种制备N-氨基甲酰-D-(2-噻吩或3-噻吩)甘氨酸的方法，通过将5-(2-噻吩或3-噻吩)肼脲作用于具有立体特异性水解肼脲环能力的微生物的培养液、细胞或经处理的细胞。N-氨基甲酰-D-(2-噻吩或3-噻吩)甘氨酸是制备药物的有用中间体，并且可以很容易地转化为D-(2-噻吩或3-噻吩)甘氨酸。