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| Other Sizes |
| Targets |
7-Amino-3-chlorocephalosporanic acid does not have a pharmacological target as it is a synthetic intermediate rather than a therapeutic agent. Its "target" in a research context is the chemical synthesis of cephalosporin antibiotics, particularly Cefaclor. The compound's β-lactam ring and chlorine substitution at C3 are essential structural features for the activity of the final antibiotic products. The compound is used as a starting material in medicinal chemistry.
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| ln Vitro |
In vitro, 7-Amino-3-chlorocephalosporanic acid is not biologically active as it is a synthetic intermediate. Its activity is measured by its chemical reactivity and suitability as a precursor for antibiotic synthesis. The compound is used in chemical reactions to introduce various side chains at the 7-amino position to produce cephalosporin antibiotics with different antibacterial spectra. Its purity and chemical properties are characterized for synthetic applications.
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| ln Vivo |
In vivo, 7-Amino-3-chlorocephalosporanic acid is not used as a therapeutic agent. It is a chemical intermediate used in the synthesis of cephalosporin antibiotics that are subsequently administered to patients. The compound itself is not administered to animals or humans. Its in vivo effects, if any, have not been characterized as it is not a drug.
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| Enzyme Assay |
Non-cell-based assays for 7-Amino-3-chlorocephalosporanic acid involve characterization of its chemical properties and purity. The compound's structure is confirmed by NMR and MS. Its purity is determined by HPLC. The compound's chemical properties including molecular formula (C₇H₇ClN₂O₃S) and molecular weight (234.66) are characterized. Its stability and reactivity in chemical synthesis are evaluated.
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| Cell Assay |
Cellular assays for 7-Amino-3-chlorocephalosporanic acid are not performed as the compound is a chemical intermediate rather than a biologically active compound. The compound is used in chemical synthesis to produce antibiotics that are subsequently tested in cellular assays. The compound itself is not added to cell cultures for biological evaluation.
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| Animal Protocol |
7-Amino-3-chlorocephalosporanic acid is not used in animal experiments as it is a chemical intermediate. The compound is used in the synthesis of cephalosporin antibiotics that are subsequently tested in animal models. The compound itself is not administered to animals. Its use is limited to chemical synthesis and pharmaceutical manufacturing.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to 7-Amino-3-chlorocephalosporanic acid as it is not a therapeutic agent. The compound is a chemical intermediate used in the synthesis of cephalosporin antibiotics. Its chemical stability, solubility, and reactivity are characterized for synthetic applications. No PK data are available as the compound is not a drug.
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| Toxicity/Toxicokinetics |
The toxicity of 7-Amino-3-chlorocephalosporanic acid has not been comprehensively evaluated as it is not a therapeutic agent. The compound is handled as a chemical reagent with standard laboratory safety precautions. As a β-lactam compound, it may cause allergic reactions in sensitive individuals. The compound is for research use only and is not intended for human consumption.
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| References | |
| Additional Infomation |
7-Amino-3-chlorocephalosporanic acid (CAS# 53994-69-7) is the bicyclic β-lactam nucleus with the molecular formula C₇H₇ClN₂O₃S and a molecular weight of 234.66. It is also known as 7-ACCA and (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. 7-ACCA is an important intermediate for the synthesis of the second-generation cephalosporin antibiotic Cefaclor. As of current knowledge, 7-ACCA is not approved as a therapeutic agent.
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| Molecular Formula |
C7H7CLN2O3S
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|---|---|
| Molecular Weight |
234.66
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| Exact Mass |
233.986
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| CAS # |
53994-69-7
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| PubChem CID |
6998927
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| Appearance |
White to off-white solid powder
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| Density |
1.81g/cm3
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| Boiling Point |
498.9±45.0 °C at 760 mmHg
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| Melting Point |
>180°C (分解)
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| Flash Point |
255.5±28.7 °C
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| Vapour Pressure |
0.0±2.7 mmHg at 25°C
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| Index of Refraction |
1.735
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| LogP |
-0.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
14
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| Complexity |
357
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)Cl
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| InChi Key |
OQSAFIZCBAZPMY-AWFVSMACSA-N
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| InChi Code |
InChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1
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| Chemical Name |
(6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2615 mL | 21.3074 mL | 42.6148 mL | |
| 5 mM | 0.8523 mL | 4.2615 mL | 8.5230 mL | |
| 10 mM | 0.4261 mL | 2.1307 mL | 4.2615 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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