MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 408069 | Name: BAY-1816032
Featured New

Description:

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

BAY-1816032 is a potent and oral available BUB1 (budding uninhibited by benzimidazoles 1) kinase inhibitor with an IC50 of 7 nM. BAY 1816032 showed long target residence time and induced chromosome mis-segregation upon combination with low concentrations of paclitaxel. It was synergistic or additive in combination with paclitaxel or docetaxel, as well as with ATR or PARP inhibitors in cellular assays. Tumor xenograft studies demonstrated a strong and statistically significant reduction of tumor size and excellent tolerability upon combination of BAY 1816032 with paclitaxel or olaparib as compared with the respective monotherapies.

Chemical Structure

BAY-1816032
BAY-1816032
CAS#1891087-61-8

Theoretical Analysis

MedKoo Cat#: 408069

Name: BAY-1816032

CAS#: 1891087-61-8

Chemical Formula: C27H24F2N6O4

Exact Mass: 534.1827

Molecular Weight: 534.52

Elemental Analysis: C, 60.67; H, 4.53; F, 7.11; N, 15.72; O, 11.97

Price and Availability

Size Price Availability Quantity
50mg USD 650.00 2 Weeks
100mg USD 1,050.00 2 Weeks
200mg USD 1,950.00 2 Weeks
500mg USD 3,450.00 2 Weeks
1g USD 5,450.00 2 Weeks
2g USD 8,450.00 2 Weeks
Show More
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
BAY-1816032; BAY 1816032; BAY1816032
IUPAC/Chemical Name
2-(3,5-difluoro-4-((3-(5-methoxy-4-((3-methoxypyridin-4-yl)amino)pyrimidin-2-yl)-1H-indazol-1-yl)methyl)phenoxy)ethan-1-ol
InChi Key
QVOGVAVHOLLLAZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33)
SMILES Code
COC1=C(NC2=NC(C3=NN(CC4=C(F)C=C(OCCO)C=C4F)C5=C3C=CC=C5)=NC=C2OC)C=CN=C1
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
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
BAY-1816032 is a BUB1 (budding uninhibited by benzimidazoles 1) kinase inhibitor with an IC50 of 7 nM.
In vitro activity:
BAY 1816032 abrogated histone H2A-Thr120 phosphorylation, the best validated substrate of BUB1 kinase, in nocodazole-arrested HeLa cells after 1 hour of compound incubation with an IC50 of 29 ± 23 nmol/L demonstrating its potent intracellular inhibition of BUB1 kinase activity. However, the functionality of the spindle assembly checkpoint was not affected by BUB1 kinase inhibition as indicated by persistent histone H3-Ser10 phosphorylation in nocodazole-arrested HeLa cells upon 4-hour incubation at concentrations up to 10 μmol/L. Reference: Clin Cancer Res. 2019 Feb 15;25(4):1404-1414. https://clincancerres.aacrjournals.org/content/25/4/1404.long
In vivo activity:
The combination of BAY 1816032 with paclitaxel was evaluated in the SUM-149 model of triple-negative breast cancer. Treatment of tumor-bearing female nude mice with BAY 1816032 as single agent did not show any significant effect on the growth of SUM-149 tumors (Fig. 3A). Paclitaxel initially suppressed tumor growth; however, starting around day 28, tumors gained size and grew out although the dose of paclitaxel had been increased from 8 mg/kg to the MTD of 20 mg/kg from day 24 onward. In contrast, the tumors from the BAY 1816032 plus paclitaxel combination treatment group grew much slower and entered a phase of stable disease around day 46. An analysis of the median tumor areas of the paclitaxel single-agent group and the combination group at day 54 showed a statistically significant difference between the two treatment groups (P < 0.05, ANOVA on ranks). Reference: Clin Cancer Res. 2019 Feb 15;25(4):1404-1414. https://clincancerres.aacrjournals.org/content/25/4/1404.long
Solvent mg/mL mM
Solubility
DMSO 37.5 70.16
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 534.52 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:
1. Siemeister G, Mengel A, Fernández-Montalván AE, Bone W, Schröder J, Zitzmann-Kolbe S, Briem H, Prechtl S, Holton SJ, Mönning U, von Ahsen O, Johanssen S, Cleve A, Pütter V, Hitchcock M, von Nussbaum F, Brands M, Ziegelbauer K, Mumberg D. Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP Inhibitors In Vitro and In Vivo. Clin Cancer Res. 2019 Feb 15;25(4):1404-1414. doi: 10.1158/1078-0432.CCR-18-0628. Epub 2018 Nov 14. PMID: 30429199.
In vitro protocol:
1. Siemeister G, Mengel A, Fernández-Montalván AE, Bone W, Schröder J, Zitzmann-Kolbe S, Briem H, Prechtl S, Holton SJ, Mönning U, von Ahsen O, Johanssen S, Cleve A, Pütter V, Hitchcock M, von Nussbaum F, Brands M, Ziegelbauer K, Mumberg D. Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP Inhibitors In Vitro and In Vivo. Clin Cancer Res. 2019 Feb 15;25(4):1404-1414. doi: 10.1158/1078-0432.CCR-18-0628. Epub 2018 Nov 14. PMID: 30429199.
In vivo protocol:
1. Siemeister G, Mengel A, Fernández-Montalván AE, Bone W, Schröder J, Zitzmann-Kolbe S, Briem H, Prechtl S, Holton SJ, Mönning U, von Ahsen O, Johanssen S, Cleve A, Pütter V, Hitchcock M, von Nussbaum F, Brands M, Ziegelbauer K, Mumberg D. Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP Inhibitors In Vitro and In Vivo. Clin Cancer Res. 2019 Feb 15;25(4):1404-1414. doi: 10.1158/1078-0432.CCR-18-0628. Epub 2018 Nov 14. PMID: 30429199.
Siemeister G, Mengel A, Fernández-Montalván AE, et al. Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP Inhibitors In Vitro and In Vivo. Clin Cancer Res. 2019;25(4):1404–1414. doi:10.1158/1078-0432.CCR-18-0628

View History

SURA24

SURA24