WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 462073
Description: IK187 is a nonpeptidic PAR2 agonist with submicromolar potency in a functional assay reflecting G protein activation. The ligand also showed substantial β-arrestin recruitment. IK187 shows preferable metabolic stability and may serve as a lead compound for the development of nonpeptidic drugs addressing PAR2.
MedKoo Cat#: 462073
Chemical Formula: C23H30N4O4
Exact Mass: 426.2267
Molecular Weight: 426.517
Elemental Analysis: C, 64.77; H, 7.09; N, 13.14; O, 15.00
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Synonym: IK187; IK-187; IK 187
IUPAC/Chemical Name: (S)-N-(1-((2-(2-amino-2-oxoethyl)benzyl)amino)-3-cyclohexyl-1-oxopropan-2-yl)-3-methylisoxazole-5-carboxamide
InChi Key: AOSPZDVYEJMNQD-IBGZPJMESA-N
InChi Code: InChI=1S/C23H30N4O4/c1-15-11-20(31-27-15)23(30)26-19(12-16-7-3-2-4-8-16)22(29)25-14-18-10-6-5-9-17(18)13-21(24)28/h5-6,9-11,16,19H,2-4,7-8,12-14H2,1H3,(H2,24,28)(H,25,29)(H,26,30)/t19-/m0/s1
SMILES Code: NC(CC1=CC=CC=C1CNC([C@H](CC2CCCCC2)NC(C3=CC(C)=NO3)=O)=O)=O
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
The following data is based on the product molecular weight 426.517 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: Ilona Klösel, Maximilian F. Schmidt, Jonas Kaindl, Harald Hübner, Dorothee Weikert, and Peter Gmeiner. Discovery of Novel Nonpeptidic PAR2 Ligands. ACS Medicinal Chemistry Letters Article ASAP. DOI: 10.1021/acsmedchemlett.0c00154.