BT2

Alias: BT2; BT 2; BT-2
Cat No.:V17161 Purity: ≥98%
BT2 is a BCKDC kinase (BDK) inhibitor (antagonist) with IC50 of 3.19 μM.
BT2 Chemical Structure CAS No.: 34576-94-8
Product category: Bcl-2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
BT2 is a BCKDC kinase (BDK) inhibitor (antagonist) with IC50 of 3.19 μM. Binding of BT2 to BDK triggers helical movement of the N-terminal domain of the branched α-keto acid dehydrogenase complex (BCKDC), resulting in the dissociation of BDK from BCKDC. BT2 (compound 4) is also a potent and specific Mcl-1 inhibitor (antagonist) with Ki of 59 μM.
Biological Activity I Assay Protocols (From Reference)
Targets
BDK (IC50 = 3.19 μM); Mcl-1 (IC50 = 59 μM)
ln Vivo
BT2 (20 mg/kg/day; intraperitoneal injection; daily; for 7 days; C57BL/6J male mice) treatment significantly increases BCKDC activity in the heart (12.3-fold) when compared to vehicle-treated animals. At 3.6 and 3.8 times, respectively, less activation is obtained in the kidney and muscle. The decreased phosphorylation in the heart, muscle, and kidney following the long-term BT2 treatment is correlated with the -fold activation of BCKDC activity in the aforementioned tissues. Protein levels of BDK are lowered in the kidneys and heart after BT2 treatment[1].
References

[1]. Benzothiophene carboxylate derivatives as novel allosteric inhibitors of branched-chain α-ketoacid dehydrogenase kinase. J Biol Chem. 2014 Jul 25;289(30):20583-93.

[2]. Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J Med Chem. 2013 Jan 10;56(1):15-30.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H4CL2O2S
Molecular Weight
247.08
Exact Mass
245.9309
Elemental Analysis
C, 43.75; H, 1.63; Cl, 28.69; O, 12.95; S, 12.98
CAS #
34576-94-8
Related CAS #
34576-94-8
Appearance
Solid powder
SMILES
C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)O
InChi Key
AAHPIJMQJAZYTM-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)
Chemical Name
3,6-dichloro-1-benzothiophene-2-carboxylic acid
Synonyms
BT2; BT 2; BT-2
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO: 49~62.5 mg/mL(198.3~252.9 mM)
Ethanol: ~3 mg/mL (~12.1 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.42 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 (8.42 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.0473 mL 20.2364 mL 40.4727 mL
5 mM 0.8095 mL 4.0473 mL 8.0945 mL
10 mM 0.4047 mL 2.0236 mL 4.0473 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.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Biological Data
  • Crystal structures of rat BDK in complex with BDK inhibitors BT2 and (S)-CPP. J Biol Chem . 2014 Jul 25;289(30):20583-93.
  • BT2, BT2F, and BT3 significantly increase BCKDC activity in wild-type and MSUD cells. J Biol Chem . 2014 Jul 25;289(30):20583-93.
  • Protein and mRNA levels of BDK in kidneys and heart from vehicle- and BT2-treated wild-type mice. J Biol Chem . 2014 Jul 25;289(30):20583-93.
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