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ST1060

CAT: 0013-GTR19274630-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274630-01Size:50 mg
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Description
ST1060 is a derivative of FTY720 and serves as a selective inhibitor of ceramide synthase 2 (CerS2) . It effectively reduces the levels of long-chain dihydroceramides (dhCer) catalyzed by CerS2, with IC50 values for C24:0 and C24:1 being 63.6 μM and 61.3 μM, respectively. ST1060 is applicable in the research of ceramide metabolism disorders.
CAS Number
1402702-76-4
Smiles
O=C (NC (CO) (CO) CCC1=CC=C (OCCCCCCC) C=C1) CCCCCCCCCCCCCCCC
Molecular Formula
C35H63NO4
Molecular Weight
561.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-(4-heptoxyphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]heptadecanamide
CAS Number1402702-76-4
PubChem CID171349567
IUPAC NameN-[4-(4-heptoxyphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]heptadecanamide
Molecular FormulaC35H63NO4
Molecular Weight561.9
XLogP11.1
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count28
Heavy Atom Count40
Formal Charge0
Complexity558
SMILES
CCCCCCCCCCCCCCCCC(=O)NC(CCC1=CC=C(C=C1)OCCCCCCC)(CO)CO
InChI
InChI=1S/C35H63NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-34(39)36-35(30-37,31-38)28-27-32-23-25-33(26-24-32)40-29-21-19-8-6-4-2/h23-26,37-38H,3-22,27-31H2,1-2H3,(H,36,39)
InChIKey
NOTUXXSJABYWJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(4-heptoxyphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]heptadecanamide
CAS: 1402702-76-4
CID: 171349567
Formula: C35H63NO4
MW: 561.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.9
XLogP311.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count28
Exact Mass561.47570949
Monoisotopic Mass561.47570949
Topological Polar Surface Area78.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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