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NB-598

CAT: 0804-HY-16343-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16343-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NB-598 is a potent and competitive inhibitor of squalene epoxidase (SE), and suppresses triglyceride biosynthesis through the farnesol pathway. NB-598 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
131060-14-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
COX
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/nb-598.html
Concentration
10mM
Purity
98.69
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CCN(C/C=C/C#CC(C)(C)C)CC1=CC=CC(OCC2=CC(C3=CSC=C3)=CS2)=C1
Molecular Formula
C27H31NOS2
Molecular Weight
449.67
Precautions
H302, H315, H319, H335
References & Citations
[1]Xia F, et al. Inhibition of cholesterol biosynthesis impairs insulin secretion and voltage-gated calcium channel function in pancreatic beta-cells. Endocrinology. 2008 Oct;149 (10) :5136-45.|[2]Horie M, et al. Effects of NB-598, a potent squalene epoxidase inhibitor, on the apical membrane uptake of cholesterol and basolateral membrane secretion of lipids in Caco-2 cells. Biochem Pharmacol. 1993 Jul 20;46 (2) :297-305.|[3]Horie M, et al. An inhibitor of squalene epoxidase, NB-598, suppresses the secretion of cholesterol and triacylglycerol and simultaneously reduces apolipoprotein B in HepG2 cells. Biochim Biophys Acta. 1993 May 20;1168 (1) :45-51.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Citation 01
Adv Sci (Weinh) . 2023 Sep;10 (27) :e2206878.|Antioxidants (Basel) . 2024 Jun 13;13 (6) :722.|Arch Pharm (Weinheim) . 2025 Feb;358 (2) :e2400807.|Cancer Lett. 2025 May 23:217810.|Cancer Res. 2022 Sep 2;82 (17) :3032-3044.|Cell Chem Biol. 2021 Jun 17;28 (6) :866-875.e5.|Cell Metab. 2020 Apr 7;31 (4) :862-877.e14.|Genome Biol. 2016 Jun 29;17 (1) :140. |J Steroid Biochem Mol Biol. 2015 Aug;152:34-44.|Sci China Life Sci. 2022 Feb;65 (2) :341-361.|Cell Death Dis. 2021 May 13;12 (5) :482.|Cell Rep. 2020 Aug 4;32 (5) :107944.|Nat Chem Biol. 2016 Jul;12 (7) :497-503. |University of Toronto. Department of Medical Biophysics

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

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A3645-200NB-598
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