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ARN14988

CAT: 0013-GTR19191392-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191392-02Size:5 mg
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Description
ARN14988 is a potent acid ceramidase inhibitor (human enzyme IC50 = 12.8 nM) . It elevates C16 ceramide species in multiple melanoma cell lines and demonstrates anti-proliferative effects, supporting its use in cancer research, particularly for studying ceramide metabolism in vitro.
CAS Number
1502027-70-4
Smiles
C (OCC (C) C) (=O) N1C (=O) N (C (NCCCCCC) =O) C=C (Cl) C1=O
Molecular Formula
C16H24ClN3O5
Molecular Weight
373.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methylpropyl 5-chloro-3-(hexylcarbamoyl)-2,6-dioxopyrimidine-1-carboxylate
CAS Number1502027-70-4
PubChem CID72548973
IUPAC Name2-methylpropyl 5-chloro-3-(hexylcarbamoyl)-2,6-dioxopyrimidine-1-carboxylate
Molecular FormulaC16H24ClN3O5
Molecular Weight373.8
XLogP4.2
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity562
SMILES
CCCCCCNC(=O)N1C=C(C(=O)N(C1=O)C(=O)OCC(C)C)Cl
InChI
InChI=1S/C16H24ClN3O5/c1-4-5-6-7-8-18-14(22)19-9-12(17)13(21)20(15(19)23)16(24)25-10-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,18,22)
InChIKey
PBVLSEVDIRSYGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylpropyl 5-chloro-3-(hexylcarbamoyl)-2,6-dioxopyrimidine-1-carboxylate
CAS: 1502027-70-4
CID: 72548973
Formula: C16H24ClN3O5
MW: 373.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.8
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass373.1404486
Monoisotopic Mass373.1404486
Topological Polar Surface Area96 Ų
Heavy Atom Count25
Formal Charge0
Complexity562
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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