WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 532994
CAS#: 916482-17-2
Description: YS121 is a dual inhibitor of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase.
MedKoo Cat#: 532994
Name: YS121
CAS#: 916482-17-2
Chemical Formula: C20H26ClN3O2S
Exact Mass: 407.1434
Molecular Weight: 407.96
Elemental Analysis: C, 58.88; H, 6.42; Cl, 8.69; N, 10.30; O, 7.84; S, 7.86
Synonym: YS121; YS 121; YS-121
IUPAC/Chemical Name: 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid
InChi Key: HVJBWTVMRIOTEL-UHFFFAOYSA-N
InChi Code: InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)
SMILES Code: CCCCCCC(SC1=NC(NC2=CC=CC(C)=C2C)=CC(Cl)=N1)C(O)=O
Appearance: Liquid
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: >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
The following data is based on the product molecular weight 407.96 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: Koeberle A, Rossi A, Zettl H, Pergola C, Dehm F, Bauer J, Greiner C, Reckel S, Hoernig C, Northoff H, Bernhard F, Dötsch V, Sautebin L, Schubert-Zsilavecz M, Werz O. The molecular pharmacology and in vivo activity of 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid (YS121), a dual inhibitor of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase. J Pharmacol Exp Ther. 2010 Mar;332(3):840-8. doi: 10.1124/jpet.109.160663. Epub 2009 Nov 24. PubMed PMID: 19934399.
