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Photoclick cholesterol

CAT: 0931-TYD-02770-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02770-01Size:10 mg
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CAS Number
1485490-47-8
Target
Others
Related Pathways
Others
Bioactivity
Photoclickcholesterol is a sterol lipid cholesterol analogue that features a clickable terminal alkyne group and a photoactivatable diazirine moiety. It has the capability for photoaffinity labeling of the mitochondrial outer membrane translocator protein (TSPO), effectively binding cholesterol specifically to TSPO. However, excessive use of Photoclickcholesterol can decrease overall mitochondrial protein and TSPO photolabeling.
Smiles
C[C@]12[C@@](C3(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(CC[C@@]5([C@@H](CCC(OCCCCC#C)=O)C)[H])[H])[H])[H])N=N3)(C[C@@H](O)CC2)[H]
Molecular Formula
C30H46N2O3
Molecular Weight
482.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PhotoClick Cholesterol
CAS Number1485490-47-8
PubChem CID117065277
IUPAC Namehex-5-ynyl (4R)-4-[(3S,5S,10R,13R,17R)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-6,3'-diazirine]-17-yl]pentanoate
Molecular FormulaC30H46N2O3
Molecular Weight482.7
XLogP7.1
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity885
SMILES
C[C@H](CCC(=O)OCCCCC#C)[C@H]1CCC2[C@@]1(CCC3C2CC4([C@@H]5[C@@]3(CC[C@@H](C5)O)C)N=N4)C
InChI
InChI=1S/C30H46N2O3/c1-5-6-7-8-17-35-27(34)12-9-20(2)23-10-11-24-22-19-30(31-32-30)26-18-21(33)13-15-29(26,4)25(22)14-16-28(23,24)3/h1,20-26,33H,6-19H2,2-4H3/t20-,21+,22?,23-,24?,25?,26+,28-,29-/m1/s1
InChIKey
ZJMZIZZWLLQHJO-FNSUTPKXSA-N
Chemical Structure
2D Structure
2D structure of PhotoClick Cholesterol
CAS: 1485490-47-8
CID: 117065277
Formula: C30H46N2O3
MW: 482.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight482.7
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass482.35084333
Monoisotopic Mass482.35084333
Topological Polar Surface Area71.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity885
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes