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3-C6-NBD-cholesterol

CAT: 0804-HY-131682-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-131682-01Size:500 µg
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Description
3-C6-NBD-cholesterol is a fluorescent analog of Chol that can be used to measure the kinetics of membrane and intracellular trafficking[1].
CAS Number
201731-19-3
Product Name Alternative
3-Hexanoyl-NBD-cholesterol
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-c6-nbd-cholesterol.html
Purity
99.0
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)C)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(C[C@H](CC4)OC(CCCCCNC5=CC=C([N+]([O-])=O)C6=NON=C56)=O)=CC3)C
Molecular Formula
C39H58N4O5
Molecular Weight
662.90
References & Citations
[1]Sezgin E, et al. A comparative study on fluorescent cholesterol analogs as versatile cellular reporters. J Lipid Res. 2016 Feb;57 (2) :299-309.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

3-hexanoyl-NBD Cholesterol
CAS Number201731-19-3
PubChem CID57370056
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] 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoate
Molecular FormulaC39H58N4O5
Molecular Weight662.9
XLogP10.9
Topological Polar Surface Area123
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity1160
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)CCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])C)C
InChI
InChI=1S/C39H58N4O5/c1-25(2)10-9-11-26(3)30-15-16-31-29-14-13-27-24-28(19-21-38(27,4)32(29)20-22-39(30,31)5)47-35(44)12-7-6-8-23-40-33-17-18-34(43(45)46)37-36(33)41-48-42-37/h13,17-18,25-26,28-32,40H,6-12,14-16,19-24H2,1-5H3/t26-,28+,29+,30-,31+,32+,38+,39-/m1/s1
InChIKey
YZAQIPGLFHPDPI-FIWRCADXSA-N
Chemical Structure
2D Structure
2D structure of 3-hexanoyl-NBD Cholesterol
CAS: 201731-19-3
CID: 57370056
Formula: C39H58N4O5
MW: 662.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.9
XLogP310.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass662.44072096
Monoisotopic Mass662.44072096
Topological Polar Surface Area123 Ų
Heavy Atom Count48
Formal Charge0
Complexity1160
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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