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(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS No. 34787-01-4

(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Basic Information

Chemical_Structure_Of
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CAS Number

34787-01-4

Molecular Formula

C15H16N2O6S2

Molecular Weight

384.44 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1

InChIKey

OHKOGUYZJXTSFX-KZFFXBSXSA-N

LogP

0.5479999999999997

Topological Polar Surface Area

124.01 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

640

Synonyms & References

English

  • BRL2288
  • (2S,5R,6R)-6-(((2R)-2-CARBOXY-2-(3-THIENYL)ACETYL)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
  • 34787-01-4
  • SPBio_002967
  • DTXSID0023668
  • GTPL10928
  • CHEMBL1449
  • AKOS015894856
  • HY-139805
  • Ticarcilina
  • (2S,5R,6R)-6-((R)-2-carboxy-2-(thiophen-3-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • UNII-F93UJX4SWT
  • Epitope ID:120358
  • 6beta-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylic acid
  • (2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • F93UJX4SWT
  • Ticar
  • Ticarcilina [INN-Spanish]
  • Q2601832
  • Prestwick1_001067
  • SCHEMBL34025
  • TICARCILLIN [WHO-DD]
  • CS-0255585
  • Ticarcillin Supplement for microbiology
  • OHKOGUYZJXTSFX-KZFFXBSXSA-N
  • alpha-carboxy-3-thienylmethylpenicillin
  • DB01607
  • TICARCILLIN [INN]
  • Prestwick2_001067
  • BRL-2288
  • TICARCILLIN [VANDF]

MDL Number

MFCD00864998

FAQ

What are the physical and chemical properties of (2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 34787-01-4)?
This compound is a white or off-white crystalline solid. Its molecular weight is approximately 422.27 g/mol. It is slightly soluble in water and organic solvents. It is reactive towards nucleophiles due to its carboxylic acid and thienyl acetyl groups. The compound is stable under normal conditions but should be stored in a dry environment to prevent hydrolysis.

How is (2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 34787-01-4) typically synthesized?
The compound is typically synthesized via the condensation of 2-(3-thienyl)acetic acid and 2-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, followed by derivatization using a suitable protecting group and deprotection. The reaction is catalyzed by a mild base and is carried out under mild conditions to achieve high yield and selectivity.

What industries use (2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 34787-01-4)?
This compound finds application in the pharmaceutical industry for its potential use as a drug intermediate or therapeutic agent. It may also be used in the development of sensors and semiconductors due to its unique chemical structure and functional groups.

What precautions should be taken when handling (2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 34787-01-4)?
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. It should be stored in a fume hood to minimize exposure to air. In case of a spill, it should be handled according to the Material Safety Data Sheet (MSDS) guidelines. Spills should be cleaned up with care to avoid inhaling or coming into direct contact with the compound.

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(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — TianMenHengChang Chemical Co Ltd

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(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — HuBeiAnAo Biotechnology Co Ltd

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(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — Shenzhen Dingbang Chemicals Co., Ltd.

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(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — ShangHaiJiangLaiShiYe Inc

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(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — HuBeiJiFeiYiYao Chemical Co Ltd

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(2S,5R,6R)-6-{[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid — HuBeiBaiDuHuaXue Co Ltd

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