NB-598 free base
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Hodoodo CAT#: H555800

CAS#: 131060-14-5 (free base)

Description: NB-598 is a potent competitive inhibitor of squalene epoxidase (SE). NB-598 suppresses triglyceride biosynthesis through the farnesol pathway. NB-598 suppresses the secretion of cholesterol and triacylglycerol and simultaneously reduces apolipoprotein B in HepG2 cells. NB-598 reduced basolaterally secreted radioactivity in cholesterol, cholesterol ester, PL and TG. Furthermore, NB-598 suppressed the basolateral secretion of apolipoprotein (apo) B. When microsomes prepared from control Caco-2 cells were incubated with 10 microM NB-598, acyl CoA:cholesterol acyltransferase (ACAT) activity was inhibited slightly.


Chemical Structure

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NB-598 free base
CAS# 131060-14-5 (free base)

Theoretical Analysis

Hodoodo Cat#: H555800
Name: NB-598 free base
CAS#: 131060-14-5 (free base)
Chemical Formula: C27H31NOS2
Exact Mass: 449.18
Molecular Weight: 449.671
Elemental Analysis: C, 72.12; H, 6.95; N, 3.11; O, 3.56; S, 14.26

Price and Availability

Size Price Availability Quantity
50mg USD 750 2 Weeks
100mg USD 1350 2 Weeks
200mg USD 2150 2 Weeks
500mg USD 3450 2 Weeks
1g USD 4850 2 Weeks
2g USD 6950 2 Weeks
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Related CAS #: 131060-14-5 (free base)   136719-25-0 (HCl)    

Synonym: NB-598 free base; NB-598; NB 598; NB598;

IUPAC/Chemical 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

InChi Key: KIRGLCXNEVICOG-SOFGYWHQSA-N

InChi Code: 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+

SMILES Code: CC(C)(C)C#C/C=C/CN(CC)CC1=CC=CC(OCC2=CC(C3=CSC=C3)=CS2)=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 449.67 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Horie M, Iwasawa Y, Satoh T, Shimizu A, Nagata Y, Kamei T. 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. doi: 10.1016/0006-2952(93)90418-v. PMID: 8347152.


2: Horie M, Hayashi M, Satoh T, Hotta H, Nagata Y, Ishida F, Kamei T. 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. PMID: 8504141.


3: Nagata Y, Horie M, Hidaka Y, Yonemoto M, Hayashi M, Watanabe H, Ishida F, Kamei T. Effect of an inhibitor of squalene epoxidase, NB-598, on lipid metabolism in Hep G2 cells. Chem Pharm Bull (Tokyo). 1992 Feb;40(2):436-40. doi: 10.1248/cpb.40.436. PMID: 1606641.


4: Hidaka Y, Hotta H, Nagata Y, Iwasawa Y, Horie M, Kamei T. Effect of a novel squalene epoxidase inhibitor, NB-598, on the regulation of cholesterol metabolism in Hep G2 cells. J Biol Chem. 1991 Jul 15;266(20):13171-7. PMID: 1649182.


5: Horie M, Sawasaki Y, Fukuzumi H, Watanabe K, Iizuka Y, Tsuchiya Y, Kamei T. Hypolipidemic effects of NB-598 in dogs. Atherosclerosis. 1991 Jun;88(2-3):183-92. doi: 10.1016/0021-9150(91)90080-m. PMID: 1892485.


6: Horie M, Tsuchiya Y, Hayashi M, Iida Y, Iwasawa Y, Nagata Y, Sawasaki Y, Fukuzumi H, Kitani K, Kamei T. NB-598: a potent competitive inhibitor of squalene epoxidase. J Biol Chem. 1990 Oct 25;265(30):18075-8. PMID: 2211682.