Synonym
FR-186054; FR 186054; FR186054.
IUPAC/Chemical Name
Urea, N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)-N-(phenylmethyl)-N-((3-(1H-pyrazol-3-yl)phenyl)methyl)-
InChi Key
XCMUCRXXBCAKCO-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H27N5OS2/c1-18-14-23(33-2)24(25(28-18)34-3)29-26(32)31(16-19-8-5-4-6-9-19)17-20-10-7-11-21(15-20)22-12-13-27-30-22/h4-15H,16-17H2,1-3H3,(H,27,30)(H,29,32)
SMILES Code
O=C(NC1=C(SC)C=C(C)N=C1SC)N(CC2=CC=CC=C2)CC3=CC=CC(C4=NNC=C4)=C3
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, not in water
Shelf Life
>2 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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
489.66
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.
| 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 |
1: Tanaka A, Terasawa T, Hagihara H, Kinoshita T, Sakuma Y, Ishibe N, Sawada M, Takasugi H, Tanaka H. Synthesis, X-ray crystal structure, and biological activity of FR186054, a novel, potent, orally active inhibitor of acyl-CoA:cholesterol O-acyltransferase (ACAT) bearing a pyrazole ring. Bioorg Med Chem Lett. 1998 Jan 6;8(1):81-6. PubMed PMID: 9871633.
2: Tanaka A, Terasawa T, Hagihara H, Sakuma Y, Ishibe N, Sawada M, Takasugi H, Tanaka H. Inhibitors of acyl-CoA:cholesterol O-acyltransferase. 2. Identification and structure-activity relationships of a novel series of N-alkyl-N-(heteroaryl-substituted benzyl)-N'-arylureas. J Med Chem. 1998 Jun 18;41(13):2390-410. PubMed PMID: 9632372.
