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ELOVL1-IN-3

CAT: 1410-M35382-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M35382-01Size:1 Each
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Description
ELOVL1-IN-3 is a potent and orally active inhibitor of elongation of very long chain fatty acid 1 (ELOVL1) enzyme. ELOVL1-IN-3 serves as a useful tool for researching adrenoleukodystrophy (ALD) .
CAS Number
2761063-99-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
377.44
Molecular Formula
C21H23N5O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Elovl1-IN-3
CAS Number2761063-99-2
PubChem CID162641713
IUPAC Name(2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine
Molecular FormulaC21H23N5O2
Molecular Weight377.4
XLogP2.6
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
C1CO[C@H](CN1C2=CC(=NC=N2)OC3CC(C3)N4C=CC=N4)C5=CC=CC=C5
InChI
InChI=1S/C21H23N5O2/c1-2-5-16(6-3-1)19-14-25(9-10-27-19)20-13-21(23-15-22-20)28-18-11-17(12-18)26-8-4-7-24-26/h1-8,13,15,17-19H,9-12,14H2/t17?,18?,19-/m1/s1
InChIKey
JXGFJBHPOCYADP-CTWPCTMYSA-N
Chemical Structure
2D Structure
2D structure of Elovl1-IN-3
CAS: 2761063-99-2
CID: 162641713
Formula: C21H23N5O2
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass377.18517499
Monoisotopic Mass377.18517499
Topological Polar Surface Area65.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T60219-01ELOVL1-IN-3
561391-01ELOVL1
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