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NB-598

CAT: 0013-GTR19157844-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19157844-01Size:1 g
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Description
NB-598 is an effective and competitive inhibitor of squalene epoxidase. It suppresses triglyceride biosynthesis through the farnesol pathway.NB-598 (10 μM) inhibits the synthesis of sterol and sterol ester from [14C]acetate without affecting the synthesis of other lipids such as phospholipids (PL), free fatty acids (FFA) and triacylglycerol (TG) . In the absence of exogenous liposomal cholesterol, NB-598 reduces ACAT activity by 31%. NB-598 reduces ACAT activity by 22% even in the presence of a 600 pM concentration of liposomal cholesterol. NB598 (10 μM) causes a 36±7% reduction in the total cholesterol level of MIN6 cells. NB598 causes a significant decrease in cholesterol by 49±2%, 46±7%, and 48±2% from PM, ER, and SG, respectively. NB598 dose-dependently inhibits insulin secretion under both basal (1 mM glucose) and glucose-stimulated (16.7 mM glucose) conditions. NB598 at concentrations up to 10 μM does not affect peak outward KV currents or the voltage dependence of activation but increases current inactivation.
CAS Number
131060-14-5
Purity
>98% (HPLC)
Solubility
DMSO:Soluble
Smiles
CCN (CC=CC#CC (C) (C) C) CC1=CC (=CC=C1) OCC2=CC (=CS2) C3=CSC=C3
Molecular Formula
C27H31NOS2
Molecular Weight
449.67
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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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C07133-10mM/1mLNB 598
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