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NB-598

CAT: 0931-TQ0115-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0115-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131060-14-5
Target
Others, Antifungal, COX
Related Pathways
Neuroscience, Microbiology/Virology, Others, Immunology/Inflammation
Purity
>99.99%
Bioactivity
NB-598 is an effective and competitive inhibitor of squalene epoxidase. It suppresses triglyceride biosynthesis through the farnesol pathway.
Smiles
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1
Molecular Formula
C27H31NOS2
Molecular Weight
449.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NB 598

decreases serum total & LDL-cholesterol levels; structure given in first source; inhibits squalene epoxidase

CAS Number131060-14-5
PubChem CID6443223
IUPAC Name(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 FormulaC27H31NOS2
Molecular Weight449.7
XLogP7.2
Topological Polar Surface Area69
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity628
SMILES
CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3
InChI
InChI=1S/C27H31NOS2/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/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
InChIKey
KIRGLCXNEVICOG-SOFGYWHQSA-N
Chemical Structure
2D Structure
2D structure of NB 598
CAS: 131060-14-5
CID: 6443223
Formula: C27H31NOS2
MW: 449.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.7
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass449.18470696
Monoisotopic Mass449.18470696
Topological Polar Surface Area69 Ų
Heavy Atom Count31
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3645-200NB-598
S0338-100mgNB 598
A3647-5.1NB-598 Maleate
MBS3840902-01NB-598 hydrochloride
A14131-50NB-598 50mg

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