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MedKoo Cat#: 129061 | Name: AB668

Description:

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

AB668 is a CK inhibitor.

Chemical Structure

AB668
AB668
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 129061

Name: AB668

CAS#: N/A

Chemical Formula: C33H43FN6O4S

Exact Mass: 638.3100

Molecular Weight: 638.80

Elemental Analysis: C, 62.05; H, 6.79; F, 2.97; N, 13.16; O, 10.02; S, 5.02

Price and Availability

Related CAS #
No Data
Synonym
AB668; AB-668; AB 668
IUPAC/Chemical Name
2-methylpropyl 5-fluoro-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]triazol-4-yl]-1H-indole-2-carboxylate
InChi Key
QKGAAGZCWIKTJD-UHFFFAOYSA-N
InChi Code
InChI=1S/C33H43FN6O4S/c1-22(2)17-24-5-8-27(9-6-24)45(42,43)35-13-16-39-14-11-25(12-15-39)19-40-20-30(37-38-40)31-28-18-26(34)7-10-29(28)36-32(31)33(41)44-21-23(3)4/h5-10,18,20,22-23,25,35-36H,11-17,19,21H2,1-4H3
SMILES Code
O=C(C(N1)=C(C2=CN(CC3CCN(CCNS(=O)(C4=CC=C(CC(C)C)C=C4)=O)CC3)N=N2)C5=C1C=CC(F)=C5)OCC(C)C
Appearance
To be determined
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
Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 638.80 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

1: Grenier D, Gelin M, Yang Y, Mularoni A, Guichou JF, Delcros JG, Krimm I.

Binding-Site Switch for Protein Kinase CK2 Inhibitors. ChemMedChem. 2025 Apr

14;20(8):e202400868. doi: 10.1002/cmdc.202400868. Epub 2025 Feb 10. PMID:

39835439.

 

2: Bancet A, Frem R, Jeanneret F, Mularoni A, Bazelle P, Roelants C, Delcros JG,

Guichou JF, Pillet C, Coste I, Renno T, Battail C, Cochet C, Lomberget T, Filhol

O, Krimm I. Cancer selective cell death induction by a bivalent CK2 inhibitor

targeting the ATP site and the allosteric αD pocket. iScience. 2024 Jan

12;27(2):108903. doi: 10.1016/j.isci.2024.108903. PMID: 38318383; PMCID:

PMC10838953.