WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555978
Description: JUN90152, also known as SMS2-IN-1, is a potent and highly selective sphingomyelin synthase 2 (SMS2) inhibitor with an IC50 of 6.5 nM and a Kd of 37 nM. JUN90152 shows 150-fold selectivity for SMS2 over SMS1 (IC50 of 1000 nM). JUN90152 was first reported in Eur J Med Chem. 2017 Aug 18;136:283-293. This product has not formal name. For the convenience of scientific communication, we named it by combining its Inchi key (3 letters from the first letter of each section) with the last 5 digits of its CAS number or its molecule weight if its CAS number is not available (see MedKoo Chemical Nomenclature, https://www.medkoo.com/page/naming).
MedKoo Cat#: 555978
Chemical Formula: C34H37F6N3O5
Exact Mass: 681.2637
Molecular Weight: 681.6764
Elemental Analysis: C, 59.91; H, 5.47; F, 16.72; N, 6.16; O, 11.74
Synonym: SMS2-IN-1; SMS2-IN 1; JUN90152; JUN-90152; JUN 90152;
IUPAC/Chemical Name: 1-methylcyclopropyl 4-(3-((3-((3,5-bis(trifluoromethyl)benzyl)(methyl)carbamoyl)-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy)propyl)piperidine-1-carboxylate
InChi Key: JDQOICVJUDEXEQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C34H37F6N3O5/c1-32(12-13-32)48-31(46)43-14-10-21(11-15-43)7-6-16-47-28-25-8-4-5-9-26(25)42(3)30(45)27(28)29(44)41(2)20-22-17-23(33(35,36)37)19-24(18-22)34(38,39)40/h4-5,8-9,17-19,21H,6-7,10-16,20H2,1-3H3
SMILES Code: O=C1C(C(N(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C)=O)=C(OCCCC3CCN(C(OC4(CC4)C)=O)CC3)C5=CC=CC=C5N1C
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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 681.6764 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. Adachi R, et al. Discovery and characterization of selective human sphingomyelin synthase 2 inhibitors. Eur J Med Chem. 2017 Aug 18;136:283-293.