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Q1-SM-102 (iodide)

CAT: 0804-HY-172330Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-172330Size:1 Each
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Description
Q1-SM-102 iodide is a quaternary ammonium lipid derivative of SM-102. Q1-SM-102 iodide can be used to prepare lipid nanoparticles (LNPs) for the delivery of mRNA in vivo. Q1-SM-102 iodide is a carriers for targeting delivery of mRNA to immune organs[1].
CAS Number
3079716-72-3
UNSPSC
12352211
Target
Liposome
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
OCC[N+](C)(CCCCCC(OCCCCCCCCCCC)=O)CCCCCCCC(OC(CCCCCCCC)CCCCCCCC)=O.[I-]
Molecular Formula
C45H90INO5
Molecular Weight
852.10
References & Citations
[1]Zeng G, et al. Cationic Lipid Pairs Enhance Liver-to-Lung Tropism of Lipid Nanoparticles for In Vivo mRNA Delivery. ACS Appl Mater Interfaces. 2024 May 22;16 (20) :25698-25709.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Q1-SM-102 (iodide)
CAS Number3079716-72-3
PubChem CID172871935
IUPAC Name(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)-methyl-(6-oxo-6-undecoxyhexyl)azanium iodide
Molecular FormulaC45H90INO5
Molecular Weight852.1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count43
Heavy Atom Count52
Formal Charge0
Complexity730
SMILES
CCCCCCCCCCCOC(=O)CCCCC[N+](C)(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO.[I-]
InChI
InChI=1S/C45H90NO5.HI/c1-5-8-11-14-17-18-19-25-33-42-50-44(48)36-30-26-32-39-46(4,40-41-47)38-31-24-20-23-29-37-45(49)51-43(34-27-21-15-12-9-6-2)35-28-22-16-13-10-7-3;/h43,47H,5-42H2,1-4H3;1H/q+1;/p-1
InChIKey
OFVAGWVUQMTSAD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Q1-SM-102 (iodide)
CAS: 3079716-72-3
CID: 172871935
Formula: C45H90INO5
MW: 852.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight852.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count43
Exact Mass851.58637
Monoisotopic Mass851.58637
Topological Polar Surface Area72.8 Ų
Heavy Atom Count52
Formal Charge0
Complexity730
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19240917-01Q1-SM-102 iodide
T203734-01Q1-ALC-0315 iodide
T9410-01SM-102

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