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NB-598

CAT: 0013-GTR19166285-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166285-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NB-598
CAS Number
131060-14-5
Product Name Alternative
Inhibit, NB598, NB-598, NB 598, Inhibitor, Squalene epoxidase
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Neuroscience
Purity
99.40% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:1 mg/mL (2.22 mM) ; DMSO:10 mg/mL (22.24 mM)
Smiles
CCN (C\C=C\C#CC (C) (C) C) Cc1cccc (OCc2cc (cs2) -c2ccsc2) c1
Molecular Formula
C27H31NOS2
Molecular Weight
449.67
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
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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Alternative Products

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A3645-200NB-598
S0338-100mgNB 598
A3647-5.1NB-598 Maleate
MBS3840902-01NB-598 hydrochloride
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A14131-1NB-598 1mg

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