JUN90152

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.

Product information

CAS Number: 2098890-15-2

Molecular Weight: 681.67

Formula: C34H37F6N3O5

Synonym:

SMS2-IN-1

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

Smiles: CC1(CC1)OC(=O)N1CCC(CCCOC2C3=CC=CC=C3N(C)C(=O)C=2C(=O)N(C)CC2C=C(C=C(C=2)C(F)(F)F)C(F)(F)F)CC1

InChiKey: JDQOICVJUDEXEQ-UHFFFAOYSA-N

InChi: 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

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 27.78 mg/mL (40.75 mM; Need ultrasonic)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥360 days if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

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.

Products are for research use only. Not for human use.