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Lipid 29d

CAT: 0013-GTR19243490-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243490-02Size:50 mg
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Description
Lipid 29 is an ionizable, unsaturated cationic lipid employed in the formulation of mRNA-loaded lipid nanoparticles (LNPs) . In vivo studies demonstrate that LNPs incorporating Lipid 29 effectively deliver luciferase mRNA, resulting in bioluminescent expression primarily in the lungs and spleen of mice following intravenous administration.
CAS Number
2921586-67-4
Field of Research
Metabolism Research
Smiles
C (NCCCN (C) C) (=O) C=1C2=C (SC1NC (CCCCCCC/C=C\C/C=C\CCCCC) =O) CN (C (CCCCCCC/C=C\C/C=C\CCCCC) =O) CC2
Molecular Formula
C49H82N4O3S
Molecular Weight
807.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lipid 29d
CAS Number2921586-67-4
PubChem CID172149789
IUPAC NameN-[3-(dimethylamino)propyl]-6-[(9Z,12Z)-octadeca-9,12-dienoyl]-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Molecular FormulaC49H82N4O3S
Molecular Weight807.3
XLogP14.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count34
Heavy Atom Count57
Formal Charge0
Complexity1170
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)NCCCN(C)C
InChI
InChI=1S/C49H82N4O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-45(54)51-49-47(48(56)50-39-35-40-52(3)4)43-38-41-53(42-44(43)57-49)46(55)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22H,5-12,17-18,23-42H2,1-4H3,(H,50,56)(H,51,54)/b15-13-,16-14-,21-19-,22-20-
InChIKey
PSUMBQCAYICKHV-KWXKLSQISA-N
Chemical Structure
2D Structure
2D structure of Lipid 29d
CAS: 2921586-67-4
CID: 172149789
Formula: C49H82N4O3S
MW: 807.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight807.3
XLogP314.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count34
Exact Mass806.61076366
Monoisotopic Mass806.61076366
Topological Polar Surface Area110 Ų
Heavy Atom Count57
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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