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98N12-5

Cat No.:V50584 Purity: ≥98%
98N12-5 is a novel ionizable lipid for efficient in vivo delivery of siRNA to the liver.
98N12-5
98N12-5 Chemical Structure CAS No.: 917572-74-8
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
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5mg
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Product Description
98N12-5 is a novel ionizable lipid for efficient in vivo delivery of siRNA to the liver.
98N12-5 is a novel multi-tail ionizable lipid that has been used for efficient in vivo siRNA delivery to the liver. It is an ionizable cationic lipid. It has been used in combination with other lipids in the generation of lipid nanoparticles (LNPs). LNPs containing 98N12-5 are used for siRNA delivery. The CAS number is 917572-74-8, with a molecular formula of C₈₁H₁₆₃N₉O₅ and a molecular weight of 1343.22.
Biological Activity I Assay Protocols (From Reference)
Targets
98N12-5 targets the delivery of siRNA to the liver. It is an ionizable lipid used in lipid nanoparticles (LNPs) for siRNA delivery. The lipid facilitates the encapsulation and delivery of siRNA to hepatocytes in the liver. It is a novel multi-tail ionizable lipid.
ln Vitro
In vitro, 98N12-5 is used as an ionizable lipid in LNPs for siRNA delivery. It is used in combination with other lipids to form LNPs. The LNPs are used for efficient delivery of siRNA.
ln Vivo
In vivo, 98N12-5 is used for efficient siRNA delivery to the liver. LNPs containing 98N12-5 are used for siRNA delivery. The lipid enables efficient delivery of siRNA to hepatocytes.
Enzyme Assay
There are no in vitro enzyme/receptor binding assays for 98N12-5 as it is a lipid for RNA delivery, not an enzyme inhibitor. Its function is assessed by its ability to deliver siRNA into cells.
Cell Assay
In vitro cell-based assays for 98N12-5 involve formulating the lipid into LNPs with siRNA and treating cells with the LNPs. siRNA delivery efficiency is assessed by measuring the knockdown of target genes. Cell viability and toxicity are also evaluated.
Animal Protocol
In vivo animal studies for 98N12-5 involve administering 98N12-5 LNPs containing siRNA to mice via intravenous injection. siRNA delivery to the liver is assessed by measuring target gene knockdown in liver tissue.
ADME/Pharmacokinetics
Pharmacokinetic properties of 98N12-5 are not extensively detailed in the available literature. For storage, it should be kept at -20°C.
Toxicity/Toxicokinetics
No specific toxicity data for 98N12-5 are available in the provided literature. The compound is for research use only. Standard laboratory safety precautions should be followed when handling.
References

[1]. Development of lipidoid-siRNA formulations for systemic delivery to the liver. Mol Ther. 2009;17(5):872-879.

[2]. Drug delivery-mediated control of RNA immunostimulation. Mol Ther. 2009;17(9):1555-1562.

Additional Infomation
98N12-5 is a novel ionizable lipid for efficient in vivo siRNA delivery to the liver. It is used in LNPs for siRNA delivery. Its CAS number is 917572-74-8.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C81H163N9O5
Molecular Weight
1343.22
Exact Mass
1342.277
CAS #
917572-74-8
PubChem CID
16006000
Appearance
Off-white to light yellow solid powder
LogP
24.1
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
79
Heavy Atom Count
95
Complexity
1560
Defined Atom Stereocenter Count
0
SMILES
C(NCCCCCCCCCCCC)(=O)CCN(CCC(NCCCCCCCCCCCC)=O)CCN(CCC(NCCCCCCCCCCCC)=O)CCNCCN(CCC(NCCCCCCCCCCCC)=O)CCC(NCCCCCCCCCCCC)=O
InChi Key
HXVVOLDXHIMZJZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C81H163N9O5/c1-6-11-16-21-26-31-36-41-46-51-61-83-77(91)56-68-88(69-57-78(92)84-62-52-47-42-37-32-27-22-17-12-7-2)73-66-82-67-74-90(72-60-81(95)87-65-55-50-45-40-35-30-25-20-15-10-5)76-75-89(70-58-79(93)85-63-53-48-43-38-33-28-23-18-13-8-3)71-59-80(94)86-64-54-49-44-39-34-29-24-19-14-9-4/h82H,6-76H2,1-5H3,(H,83,91)(H,84,92)(H,85,93)(H,86,94)(H,87,95)
Chemical Name
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
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)
DMSO : ~50 mg/mL (~37.22 mM)
THF : 50 mg/mL (~37.22 mM)
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).
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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).
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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 0.7445 mL 3.7224 mL 7.4448 mL
5 mM 0.1489 mL 0.7445 mL 1.4890 mL
10 mM 0.0744 mL 0.3722 mL 0.7445 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

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

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  • 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.)
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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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