An ATAD2 inhibitor
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BAY-850

Item No. 23422

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[(1R)-2-[(cis-4-aminocyclohexyl)amino]-1-[(4-cyanophenyl)methyl]ethyl]-2-chloro-4-methoxy-5-[5-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-2-furanyl]-benzamide
CAS Number
2099142-76-2
Molecular Formula
C38H44ClN5O3
Formula Weight
654.2
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
Acetonitrile: Slightly soluble: 0.1-1 mg/mlDMSO: Sparingly soluble: 1-10 mg/ml
SMILES
COC1=C(C2=CC=C(CN[C@H](C)C3=CC=C(C)C=C3)O2)C=C(C(N[C@@H](CN[C@H]4CC[C@@H](N)CC4)CC5=CC=C(C#N)C=C5)=O)C(Cl)=C1
InChi Code
InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29-,30+,31-/m1/s1
InChi Key
BSISGUIVBKDTQO-QIKYYPRYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    1 mg

    $33

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    5 mg

    $132

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    10 mg

    $198

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    Product Description

    BAY-850 is an inhibitor of the ATPase family AAA domain-containing protein 2 (ATAD2; IC50 = 22 nM in a time-resolved FRET assay using a tetra-acetylated histone H4 peptide).1 It is selective for ATAD2 over a panel of 32 bromodomain family proteins, including ATAD2B, a panel of 354 kinases, and a panel of 25 G protein-coupled receptors (GPCRs) at 1 µM. BAY-850 induces dimerization of ATAD2 in a concentration-dependent manner in a cell-free assay and inhibits the ATAD2-chromatin interaction in MCF-7 breast cancer cells in a fluorescence recovery after photobleaching (FRAP) assay. It induces apoptosis and cell cycle arrest in, and inhibits proliferation, invasion, and migration of, PA-1 and SKOV3 ovarian cancer cells when used at a concentration of 5 µM.2 BAY-850 (20 mg/kg) reduces tumor volume and the percentage of lung metastases in a SKOV3 mouse xenograft model. See the Structural Genomics Consortium (SGC) website for more information.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Fernández-Montalván, A.E., Berger, M., Kuropka, B., et al. Isoform-selective ATAD2 chemical probe with novel chemical structure and unusual mode of action. ACS Chem. Biol. 12(11), 2730-2736 (2017).

    2. Guruvaiah, P., Chava, S., Sun, C.W., et al. ATAD2 is a driver and a therapeutic target in ovarian cancer that functions by upregulating CENPE. Cell Death Dis. 14(7), 456 (2023).