JUN90152
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555978

CAS#: 2098890-15-2

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 digit of its CAS#) according to MedKoo Chemical Nomenclature (https://www.medkoo.com/page/naming).


Chemical Structure

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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: 681.6764
Elemental Analysis: C, 59.91; H, 5.47; F, 16.72; N, 6.16; O, 11.74

Price and Availability

Size Price Availability Quantity
500.0mg USD 2950.0 2 Weeks
1.0g USD 3950.0 2 Weeks
2.0g USD 5950.0 2 Weeks
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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

Preparing Stock Solutions

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.

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

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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.

JUN90152

500.0mg / USD 2950.0