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Merck
CN

SML3833

NB-598

≥98% (HPLC)

Synonym(s):

(E)-3-[(3,3′-Bithiophen)-5-ylmethoxy]-N-(6,6-dimethyl-2-hepten-4-ynyl)- N-ethylbenzylamine, 3-([3,3′-Bithiophen]-5-ylmethoxy)-N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-ethylbenzenemethanamine, NB 598

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About This Item

Empirical Formula (Hill Notation):
C27H31NOS2
CAS Number:
Molecular Weight:
449.67
UNSPSC Code:
51111800
NACRES:
NA.21
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear (Warmed)

storage temp.

-10 to -25°C

SMILES string

[s]1c(cc(c1)c3c[s]cc3)COc2cc(ccc2)CN(CC)C\C=C\C#CC(C)(C)C

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+

InChI key

KIRGLCXNEVICOG-SOFGYWHQSA-N

Biochem/physiol Actions

NB-598 is a potent and specific inhibitor of mammalian squalene epoxidase (SQLE) that suppresses triglyceride biosynthesis through the farnesol pathway. It decreases cholesterol levels in cells. NB-598 exhibit potent cytotoxic effects in subset of f neuroendocrine tumors, such as small cell lung cancers through accumulation of toxic squalene with in sensitive cancer cells.
Potent and specific inhibitor of mammalian squalene epoxidase (SQLE) that suppresses triglyceride biosynthesis through the farnesol pathway


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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