QUN97653
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MedKoo CAT#: 555722

CAS#: 1893397-65-3

Description: QUN97653, also known as TBK1/IKKε-IN-5, is a dual TBK1 and IKKε inhibitor, with IC50 values of 1 nM and 5.6 nM for TBK1 and IKKε, respectively. QUN97653 was first reported in patent WO 2016049211. 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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QUN97653
CAS# 1893397-65-3

Theoretical Analysis

MedKoo Cat#: 555722
Name: QUN97653
CAS#: 1893397-65-3
Chemical Formula: C28H31N7O3
Exact Mass: 513.2488
Molecular Weight: 513.602
Elemental Analysis: C, 65.48; H, 6.08; N, 19.09; O, 9.35

Price and Availability

Size Price Availability Quantity
100.0mg USD 1250.0 4 weeks
200.0mg USD 1950.0 4 weeks
500.0mg USD 2650.0 4 weeks
1.0g USD 3650.0 4 weeks
2.0g USD 5650.0 4 weeks
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Synonym: TBK1/IKKε-IN-5; QUN97653; QUN-97653; QUN 97653;

IUPAC/Chemical Name: 5-(4-((4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile

InChi Key: QYQFLAQHGHBIFA-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H31N7O3/c29-16-21-15-20(1-6-26(21)38-25-7-13-36-14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)

SMILES Code: N#CC1=CC(C2=NC(NC3=CC=C(N4CCN(C5COC5)CC4)C=C3)=NC=N2)=CC=C1OC6CCOCC6

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

Preparing Stock Solutions

The following data is based on the product molecular weight 513.602 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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PCT Int. Appl. (2016), WO 2016049211 A1 20160331. | Language: English, Database: CAPLUS

QUN97653

100.0mg / USD 1250.0