CAY10576

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

MedKoo CAT#: 206466

CAS#: 862812-98-4

Description: CAY10576 is a thiophenecarbonitrile compound that acts as a potent ATP-competitive inhibitor of IKK-3 (IKK-ε, IC50 = 40 nM).


Chemical Structure

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CAY10576
CAS# 862812-98-4

Theoretical Analysis

MedKoo Cat#: 206466
Name: CAY10576
CAS#: 862812-98-4
Chemical Formula: C22H19N3O5S2
Exact Mass: 469.07661
Molecular Weight: 469.53
Elemental Analysis: C, 56.28; H, 4.08; N, 8.95; O, 17.04; S, 13.66

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Synonym: CAY10576; CAY 10576; CAY-10576; IKK-3 Inhibitor IX.

IUPAC/Chemical Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrile

InChi Key: LDTAHRLHGHFHKP-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3

SMILES Code: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=CC=C4S(=O)(=O)C)OC

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, not in water

Shelf Life: >2 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 469.53 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: Ye CG, Liu L, Chen GG, Tang XL, He Z, He ML, Lai PB. ZBP-89 reduces histone deacetylase 3 by degrading IkappaB in the presence of Pin1. J Transl Med. 2015 Jan 27;13:23. doi: 10.1186/s12967-015-0382-7. PubMed PMID: 25623232; PubMed Central PMCID: PMC4311446.

2. 1: Bamborough P, Christopher JA, Cutler GJ, Dickson MC, Mellor GW, Morey JV, Patel CB, Shewchuk LM. 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6236-40. Epub 2006 Sep 25. PubMed PMID: 16997559.