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DMHAPC-Chol

CAT: 0931-T37586-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37586-01Size:1 mg
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CAS Number
794494-38-5
Target
Others
Related Pathways
Others
Bioactivity
DMHAPC-Chol is a cationic cholesterol. Liposomes containing DMHAPC-chol have been used for DNA plasmid delivery in vitro and in vivo in a B16-F10 mouse xenograft model. Liposomes containing DMHAPC-chol are cytotoxic to B16-F10 cells when used at lipid concentrations greater than 20 μM. DMHAPC-Chol, as part of a lipoplex with DOPE , has also been used to deliver DNA into mouse lung via intratracheal injection, resulting in a heterogeneous distribution in the bronchi and bronchioles, and to deliver VEGF siRNA into A431 and MDA-MB-231 cells, which secrete VEGF.
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(NCCC[N+](CCO)(C)C)=O)CC2)[H])[H]
Molecular Formula
C35H63N2O3
Molecular Weight
559.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DMHAPC-Chol
CAS Number794494-38-5
PubChem CID154723793
IUPAC Name3-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]propyl-(2-hydroxyethyl)-dimethylazanium
Molecular FormulaC35H63N2O3+
Molecular Weight559.9
XLogP8.7
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge1
Complexity884
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCC[N+](C)(C)CCO)C)C
InChI
InChI=1S/C35H62N2O3/c1-25(2)10-8-11-26(3)30-14-15-31-29-13-12-27-24-28(16-18-34(27,4)32(29)17-19-35(30,31)5)40-33(39)36-20-9-21-37(6,7)22-23-38/h12,25-26,28-32,38H,8-11,13-24H2,1-7H3/p+1/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1
InChIKey
ZTGXTDBNSSOEDB-SJTWHRLHSA-O
Chemical Structure
2D Structure
2D structure of DMHAPC-Chol
CAS: 794494-38-5
CID: 154723793
Formula: C35H63N2O3+
MW: 559.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.9
XLogP38.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass559.48386888
Monoisotopic Mass559.48386888
Topological Polar Surface Area58.6 Ų
Heavy Atom Count40
Formal Charge1
Complexity884
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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