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MedKoo Cat#: 530485 | Name: BAY-876
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Description:

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

BAY-876 is a potent and Selective GLUT1 Inhibitor. BAY-876 showed good metabolic stability in vitro and high oral bioavailability in vivo. GLUT1 overexpression has been reported in many types of human cancers, including those of brain,6 breast, colon, kidney, lung, ovary, and prostate, and is correlated with advanced cancer stages and poor clinical outcomes.

Chemical Structure

BAY-876
BAY-876
CAS#1799753-84-6

Theoretical Analysis

MedKoo Cat#: 530485

Name: BAY-876

CAS#: 1799753-84-6

Chemical Formula: C24H16F4N6O2

Exact Mass: 496.1271

Molecular Weight: 496.43

Elemental Analysis: C, 58.07; H, 3.25; F, 15.31; N, 16.93; O, 6.45

Price and Availability

Size Price Availability Quantity
5mg USD 90.00 Ready to ship
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,250.00 Ready to ship
500mg USD 2,850.00 Ready to ship
1g USD 3,850.00 Ready to ship
2g USD 6,450.00 Ready to ship
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Related CAS #
No Data
Synonym
BAY-876; BAY 876; BAY876.
IUPAC/Chemical Name
N4-[1-[(4-Cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-fluoro-2,4-Quinolinedicarboxamide
InChi Key
BKLJDIJJOOQUFG-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)
SMILES Code
O=C(C1=NC2=CC(F)=CC=C2C(C(NC3=C(C)N(CC4=CC=C(C=C4)C#N)N=C3C(F)(F)F)=O)=C1)N
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
>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
More Info
Biological target:
BAY-876 is a potent and selective GLUT1 inhibitor (IC50=0.002 μM) with a selectivity factor of >100 against GLUT2, GLUT3, and GLUT4.
In vitro activity:
Given the importance of hyperactive glycolysis in support of the malignant features of cancer, we next assessed the effects of BAY-876 on growth and viability of ovarian cancer cells. First, ovarian cancer cell lines were treated with <100 nM concentrations of BAY-876 that significantly decreased glycolysis with little cytotoxicity as shown in Figure 1. Treatment with these concentrations of BAY-876 for a single day led to a dose-dependent decrease in numbers of SKOV-3 and OVCAR-3 cells (Figure 4A). Three-day growth curves in the presence of 75 nM BAY-876 further confirmed the growth-inhibitory effect in SKOV-3, OVCAR-3 and HEY, but not in A2780 cells (Figure 4B). To evaluate the combined effects of BAY-876 on cell growth and cytotoxicity, these cell lines were treated with a greater dose range of BAY-876 up to 10 µM for 3 days. The mitochondrial activity of viable cells was measured with the MTT assay. The results in Figure 4C revealed that OVCAR-3 was most sensitive to BAY-876 with IC50 value of approximately 60 nM. The IC50 values of SKOV-3 and HEY were 188 and 1002 nM, respectively. In agreement with the lack of functional GLUT1 and anti-glycolytic effect, A2780 cells were refractory to treatment with BAY-876 even at as high as 2 µM concentration (Figure 4C). Reference: 2018 Dec 31;11(1):33. doi: 10.3390/cancers11010033. https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/30602670/
In vivo activity:
Since BAY-876 has not been thoroughly evaluated as an anti-cancer agent in vivo, it was assessed for its anti-tumor potential and safety in female NOD-scid IL2rgnull (NSG) mice carrying SKOV-3 subcutaneous (s.c.) xenografts. All animal experiments in this study were conducted following the policies and regulations of VCU IACUC. Four cohorts of mice with a similar range of tumor sizes (~100 mm3) were orally fed 0, 1.5, 3.0 and 4.5 mg/kg/day for 4 weeks. The tumor growth curves and changes in body weights were monitored and presented in Figure 5. There was a clear dose-dependent inhibition of tumorigenicity by BAY-876. The maximal effect was observed in the group treated with 4.5 mg/kg/day. The tumors shrunk significantly after 2 weeks of treatment. At endpoint, the final average tumor volumes and tumor weights decreased by 68% and 66%, respectively, compared to these parameters in the vehicle control group. However, the 4.5 mg/kg/day dose was somewhat toxic in NSG mice. The mouse body weights started to drop during the last week of treatment. At the end of 4 weeks, the weight loss in this group reached an average of 18% compared to the control group or groups of other two lower doses. Except for the weight loss, these mice, however, had no other noticeable health conditions. Reference: 2018 Dec 31;11(1):33. doi: 10.3390/cancers11010033. https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/30602670/
Solvent mg/mL mM
Solubility
DMSO 99.0 199.43
Ethanol 3.0 6.04
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 496.43 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. Ma Y, Wang W, Idowu MO, Oh U, Wang XY, Temkin SM, Fang X. Ovarian Cancer Relies on Glucose Transporter 1 to Fuel Glycolysis and Growth: Anti-Tumor Activity of BAY-876. Cancers (Basel). 2018 Dec 31;11(1):33. doi: 10.3390/cancers11010033. PMID: 30602670; PMCID: PMC6356953. 2. Siebeneicher H, Cleve A, Rehwinkel H, Neuhaus R, Heisler I, Müller T, Bauser M, Buchmann B. Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY-876. ChemMedChem. 2016 Oct 19;11(20):2261-2271. doi: 10.1002/cmdc.201600276. Epub 2016 Aug 23. PMID: 27552707; PMCID: PMC5095872.
In vitro protocol:
1. Ma Y, Wang W, Idowu MO, Oh U, Wang XY, Temkin SM, Fang X. Ovarian Cancer Relies on Glucose Transporter 1 to Fuel Glycolysis and Growth: Anti-Tumor Activity of BAY-876. Cancers (Basel). 2018 Dec 31;11(1):33. doi: 10.3390/cancers11010033. PMID: 30602670; PMCID: PMC6356953. 2. Siebeneicher H, Cleve A, Rehwinkel H, Neuhaus R, Heisler I, Müller T, Bauser M, Buchmann B. Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY-876. ChemMedChem. 2016 Oct 19;11(20):2261-2271. doi: 10.1002/cmdc.201600276. Epub 2016 Aug 23. PMID: 27552707; PMCID: PMC5095872.
In vivo protocol:
1. Ma Y, Wang W, Idowu MO, Oh U, Wang XY, Temkin SM, Fang X. Ovarian Cancer Relies on Glucose Transporter 1 to Fuel Glycolysis and Growth: Anti-Tumor Activity of BAY-876. Cancers (Basel). 2018 Dec 31;11(1):33. doi: 10.3390/cancers11010033. PMID: 30602670; PMCID: PMC6356953. 2. Siebeneicher H, Cleve A, Rehwinkel H, Neuhaus R, Heisler I, Müller T, Bauser M, Buchmann B. Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY-876. ChemMedChem. 2016 Oct 19;11(20):2261-2271. doi: 10.1002/cmdc.201600276. Epub 2016 Aug 23. PMID: 27552707; PMCID: PMC5095872.
1: Siebeneicher H, Cleve A, Rehwinkel H, Neuhaus R, Heisler I, Müller T, Bauser M, Buchmann B. Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY-876. ChemMedChem. 2016 Oct 19;11(20):2261-2271. doi: 10.1002/cmdc.201600276. PubMed PMID: 27552707; PubMed Central PMCID: PMC5095872.