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Acuitas Lipid A9

CAT: 0013-GTR19154557-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154557-01Size:25 mg
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Description
Lipid A9 is an ionizable cationic lipid (pKa = 6.27) that has been used in the generation of lipid nanoparticles (LNPs) for the delivery of mRNA and siRNA in vivo. LNPs containing lipid A9 and encapsulating non-stimulatory siRNA increase plasma levels of chemokine (C-C motif) ligand 2 (CCL2), indicating activation of the innate immune response, and decrease body weight in mice.
CAS Number
2036272-50-9
Field of Research
Metabolism Research
Purity
>95%
Smiles
CCCCCCCCC (=O) N (CCCN (C) C) C (CCCCCCCCC (=O) OCC (CCCC) CCCCCC) CCCCCCCCC (=O) OCC (CCCC) CCCCCC
Molecular Formula
C57H112N2O5
Molecular Weight
905.51
Notes
For research use only.

Chemical Information

Lipid A9
CAS Number2036272-50-9
PubChem CID122666762
IUPAC Namebis(2-butyloctyl) 10-[3-(dimethylamino)propyl-nonanoylamino]nonadecanedioate
Molecular FormulaC57H112N2O5
Molecular Weight905.5
XLogP20.4
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Heavy Atom Count64
Formal Charge0
Complexity964
SMILES
CCCCCCCCC(=O)N(CCCN(C)C)C(CCCCCCCCC(=O)OCC(CCCC)CCCCCC)CCCCCCCCC(=O)OCC(CCCC)CCCCCC
InChI
InChI=1S/C57H112N2O5/c1-8-13-18-21-28-35-45-55(60)59(49-38-48-58(6)7)54(43-33-26-22-24-29-36-46-56(61)63-50-52(39-16-11-4)41-31-19-14-9-2)44-34-27-23-25-30-37-47-57(62)64-51-53(40-17-12-5)42-32-20-15-10-3/h52-54H,8-51H2,1-7H3
InChIKey
XNEHCOKBKFCJSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lipid A9
CAS: 2036272-50-9
CID: 122666762
Formula: C57H112N2O5
MW: 905.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight905.5
XLogP320.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Exact Mass904.85712468
Monoisotopic Mass904.85712468
Topological Polar Surface Area76.2 Ų
Heavy Atom Count64
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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