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Purity: ≥98%
BAY-8002 is a novel, potent, selective, and orally bioactive inhibitor of monocarboxylate transporter 1 (MCT1) with an IC50 of 85 nM in the MCT1-expressing DLD-1 cells, it displays excellent selectivity against MCT4. Anti-tumor activity. The lactate transporter SLC16A1/monocarboxylate transporter 1 (MCT1) plays a central role in tumor cell energy homeostasis. BAY-8002 potently suppress bidirectional lactate transport. BAY-8002 significantly increased intratumor lactate levels and transiently modulated pyruvate levels.
| ln Vitro |
The MCT1 inhibitor BAY-8002 exhibits good selectivity for MCT4 (IC50 >50 μM in EVSA-T cells) and an IC50 of 85 nM in MCT1-expressing DLD-1 cells [1].
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|---|---|
| ln Vivo |
In Raji tumor-bearing mice, BAY-8002 (80 and 160 mg/kg, orally, twice daily for more than 26 days) effectively suppressed tumor growth [1].
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| Animal Protocol |
Animal/Disease Models: Female NOD SCID (severe combined immunodeficient) mouse (7-10 weeks old) bearing Raji cells [1]
Doses: 80 and 160 mg/kg Route of Administration: Orally, twice (two times) daily for more than 26 days Experimental Results: Inhibition of tumor growth, There was no significant weight loss, but it had no effect on tumor regression. |
| References |
| Molecular Formula |
C20H14CLNO5S
|
|---|---|
| Molecular Weight |
415.8469
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| Exact Mass |
415.028
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| CAS # |
724440-27-1
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| PubChem CID |
992293
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| Appearance |
White to off-white solid powder
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
671
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=CC(=CC=1C(NC1=CC=CC=C1C(=O)O)=O)S(C1C=CC=CC=1)(=O)=O
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| InChi Key |
CLAUJSRBKSRTGQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
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| Chemical Name |
2-(2-chloro-5-(phenylsulfonyl)benzamido)benzoic acid
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| Synonyms |
BAY-8002; BAY 8002; BAY8002
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~300.59 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.00 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.08 mg/mL (5.00 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4047 mL | 12.0236 mL | 24.0471 mL | |
| 5 mM | 0.4809 mL | 2.4047 mL | 4.8094 mL | |
| 10 mM | 0.2405 mL | 1.2024 mL | 2.4047 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
BAY-8002 inhibits bidirectional lactate transport and inhibits proliferation of MCT1-expressing cells.Mol Cancer Ther. 2018 Nov;17(11):2285-2296. |
Binding of [3H]-BAY-8002 and [3H]-AZD to membranes of MCT1-expressing cell lines with comparable and competitive activity on MCT1.Mol Cancer Ther. 2018 Nov;17(11):2285-2296. |
Responsive tumor subtypes and genetic markers of sensitivity to MCT1 inhibitors.Mol Cancer Ther. 2018 Nov;17(11):2285-2296. |
MCT1 inhibitors modulate intratumor lactate and pyruvate levels and inhibit Raji but not WSU-DLCL2 tumor growth.Mol Cancer Ther. 2018 Nov;17(11):2285-2296. |
Cancer cells may develop multiple resistance mechanisms against MCT1 inhibition.Mol Cancer Ther. 2018 Nov;17(11):2285-2296. |
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