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NB-598 Maleate

CAT: 1568-C04207-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C04207-1mgSize:1 mg
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CAS Number
155294-62-5
Additionnal Information
NB-598 Maleate is a potent and competitive inhibitor of squalene epoxidase (SE), and suppresses triglyceride biosynthesis through the farnesol pathway. NB-598 (Maleate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

NB-598 (Maleate)
CAS Number155294-62-5
PubChem CID71576679
IUPAC Name(Z)-but-2-enedioic acid;(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
Molecular FormulaC31H35NO5S2
Molecular Weight565.7
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity747
SMILES
CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C27H31NOS2.C4H4O4/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23;5-3(6)1-2-4(7)8/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b8-6+;2-1-
InChIKey
QGUWPAYJKVJWEK-JVTXGDFZSA-N
Chemical Structure
2D Structure
2D structure of NB-598 (Maleate)
CAS: 155294-62-5
CID: 71576679
Formula: C31H35NO5S2
MW: 565.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass565.19566556
Monoisotopic Mass565.19566556
Topological Polar Surface Area144 Ų
Heavy Atom Count39
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19205311-01NB-598 Maleate
HY-16343C-01NB-598 (Maleate)
A3648-50NB-598 Maleate salt
A15180-25NB-598 Maleate 25mg
A15180-100NB-598 Maleate 100mg
A15180-50NB-598 Maleate 50mg
A15180-10NB-598 Maleate 10mg
A15180-5NB-598 Maleate 5mg
A15180-2NB-598 Maleate 2mg
A3645-200NB-598

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