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(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS No. 21593-23-7

(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

Chemical_Structure_Of
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CAS Number

21593-23-7

Molecular Formula

C17H17N3O6S2

Molecular Weight

423.47 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
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
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>135°C (dec.)

Refractive Index

1.6390 (estimate)

SMILES

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CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O

InChI

InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1

InChIKey

UQLLWWBDSUHNEB-CZUORRHYSA-N

LogP

0.4753999999999996

Topological Polar Surface Area

125.90000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

707

Synonyms & References

English

  • KBio2_000552
  • BDBM50370592
  • KBio1_000042
  • Cefapirina (INN-Spanish)
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6R,7R)-
  • KBioGR_000740
  • 89B59H32VN
  • HSDB 3215
  • Cefapirine
  • CEPHAPIRIN [VANDF]
  • Spectrum5_000671
  • (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(pyridin-4-ylsulfanyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-3-acetoxymethyl-7-[(pyridin-4-ylsulfanyl)acetamido]-3,4-didehydrocepham-4-carboxylic acid
  • (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(pyridin-4-ylthio)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • ANTIBIOTIC BL-P1322
  • D07636
  • (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(pyridin-4-ylthio)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
  • (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(((pyridin-4-ylsulfanyl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • SCHEMBL3205
  • SBI-0050267.P004
  • EINECS 244-466-5
  • 3-(Hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamidol-5-thia-1-azabicyclo(4.2.0)oct-2-en-2carbonsaeure acetat
  • NS00084098
  • Prestwick1_000851
  • Cephapirine
  • KBioSS_000552
  • NSC179171
  • (6R,7R)-3-(acetoxymethyl)-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-(.ALPHA.-(4-PYRIDYLTHIO)ACETAMIDO)CEPHALOSPORANIC ACID
  • Cefa -ak
  • UQLLWWBDSUHNEB-CZUORRHYSA-N

MDL Number

MFCD00864868

FAQ

What regulatory guidelines apply to (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 21593-23-7)?
This compound falls under the GHS (Globally Harmonized System of Classification and Labeling of Chemicals) regulations for hazardous chemicals. It may also be subject to REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) regulations in the European Union. For FDA/EPA requirements, specific testing and documentation are necessary for safety and environmental impact assessments. Additional local regulations may also apply based on the intended use and location.

Are there alternatives to (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid in synthesis?
Alternative reagents such as related acylating agents or isomers can be considered. Analogous compounds with similar functional groups, like 4-pyridinylsulfanyl derivatives, may serve as suitable alternatives. It is crucial to evaluate the reactivity and substituent effects for optimal synthetic pathways.

What is the market or research trend for (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 21593-23-7)?
Research trends suggest increasing interest in this compound for its potential in pharmaceuticals and biotechnology applications. Market trends indicate growing demand for specialized chemicals that can enhance drug efficacy. Emerging research is focusing on optimizing synthesis methods and exploring new therapeutic applications.

How should waste containing (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 21593-23-7) be handled?
Waste containing this compound should be collected in appropriate containers and stored under controlled conditions. Incineration or professional disposal services are recommended to ensure safe and environmentally friendly disposal. It is essential to follow local regulations and guidelines for hazardous waste management to prevent environmental contamination.

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(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid — Shanghai Jixiang Biotechnology Co., Ltd.

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(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid — Shanghai Yuyeh Biotechnology Co., Ltd.

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(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

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(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid — Shanghai Analytical Rocky Experimental Technology Co., Ltd.

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(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid — HuBeiJiFeiYiYao Chemical Co Ltd

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(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid — HuBeiBaiDuHuaXue Co Ltd

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