![Carbamic acid, N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester](/upload/0290/7c2eb20a-241b-4311-84bd-14ba58175969.png)
| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
This compound does not target biological receptors. It is a chemical intermediate and protecting group reagent used in organic synthesis. As a Boc-protected amine, its primary chemical function is to protect the amine group during synthetic transformations. Its target is the synthetic pathway for lenacapavir, where it serves as a key building block. It has no known pharmacological activity.
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| ln Vitro |
In vitro activity is not applicable as this compound is a synthetic intermediate rather than a biologically active agent. It is used in the synthesis of lenacapavir sodium, an HIV-1 capsid inhibitor. Its role is chemical rather than biological—it serves as a protected amine building block that is deprotected and further functionalized during the synthesis of the active pharmaceutical ingredient.
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| ln Vivo |
In vivo activity is not applicable. This compound is a chemical intermediate, not a therapeutic agent. It is not administered to living organisms. Its relevance is in pharmaceutical manufacturing as a precursor to lenacapavir. It is not intended for human or animal consumption and has no therapeutic indication.
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| Enzyme Assay |
In vitro non-cellular assays for this compound are not typically performed as it is a synthetic intermediate. Characterization protocols include: (1) determine purity by HPLC; (2) confirm identity by NMR spectroscopy (¹H, ¹³C, ¹⁹F); (3) assess optical purity by chiral HPLC; (4) measure melting point; (5) characterize by mass spectrometry (ESI-MS or MALDI-TOF); and (6) evaluate stability under various storage conditions.
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| Cell Assay |
In vitro cellular assays are not applicable. This compound is a chemical intermediate and is not used in biological or cell-based studies. It is not intended for diagnostic, therapeutic, or research applications involving living cells. Standard safety practices should be followed when handling the material.
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| Animal Protocol |
In vivo animal experiments are not applicable. This compound is a chemical intermediate, not a drug candidate. It is not evaluated in animal models for efficacy or safety. No pharmacokinetic or toxicological studies in animals are conducted for this material for pharmaceutical purposes. It is used exclusively in chemical synthesis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable as this compound is a synthetic intermediate, not a drug. It is not administered systemically. Its chemical properties include a molecular weight of 492.2, a molecular formula of C₁₈H₁₈Br₂F₂N₂O₂, and it typically exists as a solid at room temperature. It is a Boc-protected amine that can be deprotected under acidic conditions.
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| Toxicity/Toxicokinetics |
The toxicity profile of this compound is not well-characterized. As a halogenated organic compound containing bromine and fluorine, it may have significant toxicity. It is for research use only and is not intended for human consumption. Standard laboratory safety practices should be followed when handling the material. Avoid inhalation and skin contact. Use appropriate personal protective equipment.
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| Additional Infomation |
This compound is also known as tert-butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate. It is a chemical intermediate used in the synthesis of lenacapavir sodium, an HIV-1 capsid inhibitor. The molecular formula is C₁₈H₁₈Br₂F₂N₂O₂ and the molecular weight is 492.2. This product is not a drug and has no clinical trial or regulatory approval status.
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| Molecular Formula |
C18H18BR2F2N2O2
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| Molecular Weight |
492.2
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| CAS # |
1620056-47-4
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| Appearance |
Typically exists as solids at room temperature
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| SMILES |
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)C2=C(C=CC(=N2)Br)Br
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| InChi Key |
XKLGEKSJSJYONN-AWEZNQCLSA-N
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| InChi Code |
InChI=1S/C18H18Br2F2N2O2/c1-18(2,3)26-17(25)23-14(16-13(19)4-5-15(20)24-16)8-10-6-11(21)9-12(22)7-10/h4-7,9,14H,8H2,1-3H3,(H,23,25)/t14-/m0/s1
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| Chemical Name |
tert-butyl N-[(1S)-1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamate
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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 | 2.0317 mL | 10.1585 mL | 20.3169 mL | |
| 5 mM | 0.4063 mL | 2.0317 mL | 4.0634 mL | |
| 10 mM | 0.2032 mL | 1.0158 mL | 2.0317 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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