MedKoo Cat#: 555978 | Name: JUN90152
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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 no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

JUN90152
JUN90152
CAS#2098890-15-2

Theoretical Analysis

MedKoo Cat#: 555978

Name: JUN90152

CAS#: 2098890-15-2

Chemical Formula: C34H37F6N3O5

Exact Mass: 681.2637

Molecular Weight: 681.68

Elemental Analysis: C, 59.91; H, 5.47; F, 16.72; N, 6.16; O, 11.74

Price and Availability

Size Price Availability Quantity
500mg USD 2,950.00 2 Weeks
1g USD 3,950.00 2 Weeks
2g USD 5,950.00 2 Weeks
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 681.68 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.

Recalculate based on batch purity %
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.