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DMPAC-Chol

CAT: 0931-T37534-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T37534-03Size:10 mg
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CAS Number
184582-91-0
Target
Liposome, Others
Related Pathways
Others, Metabolism
Bioactivity
DMPAC-Chol is a cationic cholesterol derivative that has been used in liposome formation for gene transfection. Liposomes containing DMPAC-chol bind to DNA in a band shift assay and protect against serum nuclease degradation of DNA when used at lipsome:DNA ratios ranging from 2.5:1 to 10:1 w/w. DMPAC-Chol-containing liposomes also reduce viability of HepG2 cells by 63% when used at a concentration of 37.5 μg/ml.
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(NCCCN(C)C)=O)CC2)[H])[H]
Molecular Formula
C33H58N2O2
Molecular Weight
514.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DMPAC-Chol
CAS Number184582-91-0
PubChem CID12021232
IUPAC Name[(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] N-[3-(dimethylamino)propyl]carbamate
Molecular FormulaC33H58N2O2
Molecular Weight514.8
XLogP9.3
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity806
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)NCCCN(C)C)C)C
InChI
InChI=1S/C33H58N2O2/c1-23(2)10-8-11-24(3)28-14-15-29-27-13-12-25-22-26(37-31(36)34-20-9-21-35(6)7)16-18-32(25,4)30(27)17-19-33(28,29)5/h12,23-24,26-30H,8-11,13-22H2,1-7H3,(H,34,36)/t24-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey
KXWSSROBKRIZBR-FLFWOSPYSA-N
Chemical Structure
2D Structure
2D structure of DMPAC-Chol
CAS: 184582-91-0
CID: 12021232
Formula: C33H58N2O2
MW: 514.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.8
XLogP39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass514.44982910
Monoisotopic Mass514.44982910
Topological Polar Surface Area41.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity806
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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