| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
|
||
| 2g |
|
||
| 5g |
|
||
| 10g |
|
||
| Other Sizes |
| Targets |
Paxlovid Intermediate itself is not a drug that targets a biological entity. It is a chemical building block used in the multi-step synthesis of nirmatrelvir. Nirmatrelvir targets the SARS-CoV-2 main protease (Mpro, also known as 3CLpro), inhibiting viral replication.
|
|---|---|
| ln Vitro |
The "in vitro activity" of this intermediate is not applicable as it is not a biologically active compound. Its relevance is purely chemical, serving as a precursor for the synthesis of the active pharmaceutical ingredient.
|
| ln Vivo |
The "in vivo activity" of this intermediate is not applicable. Its role is as a synthetic intermediate for the manufacture of nirmatrelvir.
|
| Enzyme Assay |
There are no biological assay protocols for this compound, as it is a synthetic intermediate. Its characterization involves chemical analytical methods such as NMR, HPLC, and mass spectrometry to confirm its structure and purity.
|
| Cell Assay |
Cell-based assays are not applicable for this compound. Its use is in chemical synthesis, not in biological experiments.
|
| Animal Protocol |
Animal studies are not applicable for this compound. It is not administered to animals as a drug; it is a chemical used in the manufacturing process.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for this intermediate. As a synthetic precursor, it is not intended for systemic exposure.
|
| Toxicity/Toxicokinetics |
Toxicological data for this intermediate are not applicable in the context of drug therapy. However, as a chemical, standard handling precautions would apply.
|
| Additional Infomation |
Paxlovid Intermediate is a chemical used for the synthesis of nirmatrelvir, a key component of the COVID-19 antiviral drug Paxlovid. It is a valuable compound in pharmaceutical manufacturing. It is also known as a key intermediate for Paxlovid.
|
| Molecular Formula |
C9H16CLNO2
|
|---|---|
| Molecular Weight |
205.6818
|
| Exact Mass |
205.086
|
| CAS # |
565456-77-1
|
| PubChem CID |
11229499
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.534
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
12
|
| Complexity |
225
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
Cl[H].O(C([H])([H])[H])C([C@]1([H])[C@]2([H])[C@]([H])(C([H])([H])N1[H])C2(C([H])([H])[H])C([H])([H])[H])=O
|
| InChi Key |
KCIDWDVSBWPHLH-ACZMJKKPSA-N
|
| InChi Code |
InChI=1S/C9H15NO2/c1-9(2)5-4-10-7(6(5)9)8(11)12-3/h5-7,10H,4H2,1-3H3/t5-,6-,7-/m0/s1
|
| Chemical Name |
methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 4.8619 mL | 24.3096 mL | 48.6192 mL | |
| 5 mM | 0.9724 mL | 4.8619 mL | 9.7238 mL | |
| 10 mM | 0.4862 mL | 2.4310 mL | 4.8619 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
