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C14-490

CAT: 0013-GTR19253564-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19253564-01Size:10 mg
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Description
C14-490 is an ionizable cationic lipid (pKa= 5.94) utilized in the synthesis of lipid nanoparticles (LNPs) . These LNPs serve as a platform for subsequent gene editing studies in hematopoietic stem cells (HSCs) in utero. C14-490 LNPs encapsulate SpCas9 mRNA and TTR sgRNA, employing an optimized B5 formulation parameter, and are further enhanced by the surface attachment of CD45 antibody F (ab’) 2 fragments to create Systemically Targeted Editing Mechanism LNPs (STEM LNPs) .
CAS Number
2639634-82-3
Field of Research
Metabolism Research, Signal Transduction
Smiles
OC (CN (CCN1CCN (CC1) CC (OCC) CN (CC (O) CCCCCCCCCCCC) CC (O) CCCCCCCCCCCC) CC (OCC) CN (CC (O) CCCCCCCCCCCC) CC (O) CCCCCCCCCCCC) CCCCCCCCCCCC
Molecular Formula
C86H177N5O7
Molecular Weight
1393.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

C14-490 (10mg/ml solution in ethanol)
CAS Number2639634-82-3
PubChem CID172148540
IUPAC Name1-[[3-[bis(2-hydroxytetradecyl)amino]-2-ethoxypropyl]-[2-[4-[3-[bis(2-hydroxytetradecyl)amino]-2-ethoxypropyl]piperazin-1-yl]ethyl]amino]tetradecan-2-ol
Molecular FormulaC86H177N5O7
Molecular Weight1393.4
XLogP28.3
Topological Polar Surface Area136
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count80
Heavy Atom Count98
Formal Charge0
Complexity1480
SMILES
CCCCCCCCCCCCC(CN(CCN1CCN(CC1)CC(CN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)OCC)CC(CN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)OCC)O
InChI
InChI=1S/C86H177N5O7/c1-8-15-20-25-30-35-40-45-50-55-60-80(92)71-89(77-86(98-14-7)79-91(74-83(95)63-58-53-48-43-38-33-28-23-18-11-4)75-84(96)64-59-54-49-44-39-34-29-24-19-12-5)70-67-87-65-68-88(69-66-87)76-85(97-13-6)78-90(72-81(93)61-56-51-46-41-36-31-26-21-16-9-2)73-82(94)62-57-52-47-42-37-32-27-22-17-10-3/h80-86,92-96H,8-79H2,1-7H3
InChIKey
VVPCTPAAYAVHBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of C14-490 (10mg/ml solution in ethanol)
CAS: 2639634-82-3
CID: 172148540
Formula: C86H177N5O7
MW: 1393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1393.4
XLogP328.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count80
Exact Mass1392.36480300
Monoisotopic Mass1392.36480300
Topological Polar Surface Area136 Ų
Heavy Atom Count98
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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