yingweiwo

mRNA-Encapsulating Lipid Excipient 1

Cat No.:V65987 Purity: ≥98%
mRNA-Encapsulating Lipid Excipient 1 (Compound 2) is a thiocarbamate-based ionizable lipid.
mRNA-Encapsulating Lipid Excipient 1
mRNA-Encapsulating Lipid Excipient 1 Chemical Structure CAS No.: 2230647-37-5
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
25mg
50mg
100mg
1g
Other Sizes
Official Supplier of:
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text

 

  • Business Relationship with 5000+ Clients Globally
  • Major Universities, Research Institutions, Biotech & Pharma
  • Citations by Top Journals: Nature, Cell, Science, etc.
Top Publications Citing lnvivochem Products
Product Description
mRNA-Encapsulating Lipid Excipient 1 (Compound 2) is a thiocarbamate-based ionizable lipid. mRNA-Encapsulating Lipid Excipient 1 could be utilized as an excipient for mRNA-encapsulating lipid nanoparticles.
mRNA-Encapsulating Lipid Excipient 1 (CAS 2230647-37-5), also known as Compound 2, is a thiocarbamate-based ionizable lipid with molecular formula C44H86N2O5S and molecular weight 755.23. It appears as a liquid. This compound is used as an excipient in mRNA-encapsulating lipid nanoparticles for the formulation of mRNA-based therapeutics. As an ionizable lipid, it plays a critical role in the encapsulation, protection, and delivery of mRNA molecules to target cells.
Biological Activity I Assay Protocols (From Reference)
Targets
The primary target of mRNA-Encapsulating Lipid Excipient 1 is not a biological receptor but rather the lipid nanoparticle formulation itself. As an ionizable lipid, it facilitates the encapsulation of mRNA and promotes endosomal escape after cellular uptake. The compound is designed to be used as an excipient in lipid nanoparticle formulations for mRNA delivery. Its function is to enable efficient delivery of mRNA therapeutics to target cells rather than to interact with a specific pharmacological target.
ln Vitro
In vitro activity of mRNA-Encapsulating Lipid Excipient 1 is assessed in lipid nanoparticle formulation studies. The compound is evaluated for its ability to encapsulate mRNA, protect it from degradation, and facilitate cellular uptake and endosomal escape. In cell-based assays, lipid nanoparticles formulated with this excipient are tested for mRNA delivery efficiency, protein expression levels, and cytotoxicity. The compound's performance is compared to other ionizable lipids in terms of transfection efficiency and formulation stability.
ln Vivo
In vivo activity of mRNA-Encapsulating Lipid Excipient 1 is evaluated in animal models for mRNA delivery and therapeutic efficacy. Lipid nanoparticles formulated with this excipient are administered via various routes including intravenous, intramuscular, or subcutaneous injection to assess mRNA expression, biodistribution, and therapeutic outcomes. The compound enables the delivery of mRNA to target tissues and cells, facilitating protein expression for vaccine or therapeutic applications.
Enzyme Assay
For non-cellular assays, mRNA-Encapsulating Lipid Excipient 1 is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated in lipid nanoparticle formulation studies for particle size, polydispersity, encapsulation efficiency, and stability. Typical protocols involve mixing the lipid with other formulation components (helper lipids, cholesterol, PEG-lipids) and mRNA in appropriate solvents, followed by characterization using dynamic light scattering and other analytical methods. Purity is ≥98%.
Cell Assay
For in vitro cell-based studies, mRNA-Encapsulating Lipid Excipient 1 is used in lipid nanoparticle formulations for mRNA delivery. Cells are cultured under standard conditions and treated with mRNA-loaded lipid nanoparticles containing this excipient. mRNA delivery efficiency is assessed by measuring protein expression using reporter assays (e.g., luciferase or GFP), qPCR, or other detection methods. Cytotoxicity and cellular uptake are also evaluated. Appropriate controls including formulations without the excipient should be included.
Animal Protocol
For in vivo animal studies, mRNA-Encapsulating Lipid Excipient 1 is formulated into lipid nanoparticles and administered via various routes including intravenous, intramuscular, or subcutaneous injection. Dosing solutions are prepared according to established lipid nanoparticle formulation protocols. The compound is evaluated in animal models for mRNA delivery efficiency, protein expression, biodistribution, immunogenicity, and therapeutic efficacy. Dosing regimens and administration protocols follow approved animal welfare guidelines and institutional protocols.
ADME/Pharmacokinetics
mRNA-Encapsulating Lipid Excipient 1 has a molecular weight of 755.23 and molecular formula C44H86N2O5S. It appears as a liquid. Purity: ≥98%. The compound is a thiocarbamate-based ionizable lipid used as an excipient in mRNA-encapsulating lipid nanoparticles. Storage: should be stored under recommended conditions. The compound is for research use only.
Toxicity/Toxicokinetics
mRNA-Encapsulating Lipid Excipient 1 is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this lipid excipient. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported for this novel lipid excipient.
References

[1]. Development of a Safe and Scalable Process for the Production of a High-Purity Thiocarbamate-Based Ionizable Lipid as an Excipient in mRNA-Encapsulating Lipid Nanoparticles. Org. Process Res. Dev. 2021, 25, 6, 1383-1390.

Additional Infomation
mRNA-Encapsulating Lipid Excipient 1 (CAS 2230647-37-5) is also known as Compound 2 and 4,4'-((((3-(dimethylamino)propyl)thio)carbonyl)azanediyl)dibutanoic acid di(pentadecan-8-yl) ester. It is a thiocarbamate-based ionizable lipid used as an excipient in mRNA-encapsulating lipid nanoparticles. The compound is used in the formulation of mRNA-based therapeutics and vaccines. No clinical trials or therapeutic approvals exist for the excipient itself.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C44H86N2O5S
Molecular Weight
755.2291
Exact Mass
754.625
CAS #
2230647-37-5
PubChem CID
135130532
Appearance
Colorless to light yellow liquid
LogP
15.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
41
Heavy Atom Count
52
Complexity
747
Defined Atom Stereocenter Count
0
SMILES
CCCCCCCC(CCCCCCC)OC(=O)CCCN(CCCC(=O)OC(CCCCCCC)CCCCCCC)C(=O)SCCCN(C)C
InChi Key
HAWZMEVIHSUELL-UHFFFAOYSA-N
InChi Code
InChI=1S/C44H86N2O5S/c1-7-11-15-19-23-30-40(31-24-20-16-12-8-2)50-42(47)34-27-37-46(44(49)52-39-29-36-45(5)6)38-28-35-43(48)51-41(32-25-21-17-13-9-3)33-26-22-18-14-10-4/h40-41H,7-39H2,1-6H3
Chemical Name
pentadecan-8-yl 4-[3-(dimethylamino)propylsulfanylcarbonyl-(4-oxo-4-pentadecan-8-yloxybutyl)amino]butanoate
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 Data
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.3241 mL 6.6205 mL 13.2410 mL
5 mM 0.2648 mL 1.3241 mL 2.6482 mL
10 mM 0.1324 mL 0.6621 mL 1.3241 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
/

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
+
+
+

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.

Contact Us