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| | 7-Amino-3-methyl-3-cephem-4-carboxylic acid Basic information |
| | 7-Amino-3-methyl-3-cephem-4-carboxylic acid Chemical Properties |
| Melting point | 234°C (dec.) | | Boiling point | 517.6±50.0 °C(Predicted) | | density | 1.59±0.1 g/cm3(Predicted) | | vapor pressure | 0Pa at 20℃ | | refractive index | 104 ° (C=1, 1mol/L HCl) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder | | pka | 3.04±0.50(Predicted) | | color | White to Orange to Green | | Water Solubility | Soluble in water (partly), 1M ammonium hydroxide (50 mg/ml), and DMSO (Sparingly). | | BRN | 5273616 | | Stability: | Stable. Incompatible with strong oxidizing agents. | | InChI | InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1 | | InChIKey | NVIAYEIXYQCDAN-CLZZGJSISA-N | | SMILES | N12[C@@]([H])([C@H](N)C1=O)SCC(C)=C2C(O)=O | | LogP | -3.8--2.8 at 20℃ and pH3.6-7 | | CAS DataBase Reference | 22252-43-3(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 42/43-36/37/38-20/21/22 | | Safety Statements | 36-26 | | WGK Germany | 3 | | HS Code | 2941901010 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Aquatic Chronic 3 |
| | 7-Amino-3-methyl-3-cephem-4-carboxylic acid Usage And Synthesis |
| Chemical Properties | Off-White Powder | | Uses | A metabolite of Cephalexin (C256800). | | Uses | 7-Aminodesacetoxycephalosporanic acid is the Cephalexin metabolite. It is a Potent inhibitor of bacterial cell-wall enzyme. It is used in the synthesis of cephalosporins and for bioconversion studies. | | Definition | ChEBI: A cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7beta-amino group. | | Biological Activity | 7-ADCA is produced from penicillin G made by Penicillium chrysogenum involving several polluting chemical steps followed by enzymatic deacylation using penicillin acylase . | | Synthesis | The existing preparation method usually employs acylase to cleave 7-phenylacetamidocephalosporanic acid, and then obtains 7-ADCA by acidification, dichloromethane extraction to remove impurities, activated charcoal decolorization and crystallization, etc. However, in this process, after obtaining the cleavage solution, the steps of removing impurities and decoloration are more cumbersome, and after decoloration with activated charcoal, in the subsequent reaction process, some of the substances come into contact with oxygen in the air, and are prone to appear color again, and the effect of removing impurities and decolorization is poor. |
| | 7-Amino-3-methyl-3-cephem-4-carboxylic acid Preparation Products And Raw materials |
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