BX-795

Alias: BX 795; BX-795; BX795
Cat No.:V0235 Purity: ≥98%
BX795 is a novel, potent and selective/specific PDK-1 (3-phosphoinositide-dependent kinase-1) inhibitor with potential antitumor activity.
BX-795 Chemical Structure CAS No.: 702675-74-9
Product category: PDK-1
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

BX795 is a novel, potent and selective/specific PDK-1 (3-phosphoinositide-dependent kinase-1) inhibitor with potential antitumor activity. In cell-free assays, it exhibits 140- and 1600-fold more selectivity for PDK1 over PKA and PKC, respectively, and inhibits PDK-1 with an IC50 of 6 nM. High antitumor efficacy and potent antiproliferative activity were demonstrated by BX795 in vivo. In a direct kinase assay format, it works by attaching to the ATP-binding pocket of PDK1 and thereby potently inhibiting the enzyme's activity. In macrophages stimulated with poly(I:C) or lipopolysaccharide (LPS), BX795 inhibits the phosphorylation, nuclear translocation, and transcriptional activity of interferon regulatory factor 3 as well as the production of interferon-β.

Biological Activity I Assay Protocols (From Reference)
Targets
PDPK1 (IC50 = 6 nM); c-Kit (IC50 = 320 nM); CDK2/CyclinE (IC50 = 430 nM); Chk1 (IC50 = 510 nM)
ln Vitro
BX-795 efficiently inhibits PDK1 activity in PC-3 cells as evidenced by their capacity to prevent S6K1, Akt, PKCδ, and GSK3β phosphorylation. BX-795 has an effective inhibitory effect on tumor cell growth on plastic, with IC50 values for MDA-468, HCT-116, and MiaPaca cells of 1.6, 1.4, and 1.9 M, respectively. BX-795 exhibits greater growth inhibition in soft agar, with IC50 values for MDA-468 and PC-3 cells of 0.72 and 0.25 μM, respectively.[1]
BX-795 an inhibitor of TBK1/IKKɛ, also prevents the activation of IRF3 and the production of IFN-β by TBK1 and IKKɛ.[2]
BX795 inhibits the production of ATP, thromboxane, and 2-MeSADP-induced or collagen-induced aggregation in platelet physiological responses.[3]
ln Vivo
BX795, a TBK-1 and PDK-1 inhibitor, also inhibits HSV protein translation.
Enzyme Assay
PDK1 is assayed in a direct kinase assay and a coupled assay format measuring PDK1- and PtdIns-3,4-P2-mediated activation of AKT2. For the coupled assay, the final assay mixture (60 μL) contained: 15 mM MOPS, pH 7.2, 1 mg/mL bovine serum albumin, 18 mM β-glycerol phosphate, 0.7 mM dithiothreitol, 3 mM EGTA, 10 mM MgOAc, 7.5 μM ATP, 0.2 μCi of [γ-33P]ATP, 7.5 μM biotinylated peptide substrate (biotin-ARRRDGGGAQPFRPRAATF), 0.5 μL of PtdIns-3,4-P2-containing phospholipid vesicles, 60 pg of purified recombinant human PDK1, and 172 ng of purified recombinant human AKT2. The biotin-labeled peptide is captured from 10 μl of the assay mixture on streptavidin-coated SPA beads after 2 hours of room temperature incubation, and product formation is determined by scintillation proximity in a Wallac MicroBeta counter. The amount of PDK1 and inactive AKT2 added, as well as the incubation period, all influence the final product. In order for the assay to sensitively identify both direct inhibitors of PDK1 or AKT1 as well as inhibitors of AKT2 activation, PDK1 is added at suboptimal levels. To measure PDK1 activity directly, the final assay mixture (60 μL) contained 50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 0.1 mM EDTA, 0.1% β-mercaptoethanol, 1 mg/mL bovine serum albumin, 10 mM MgOAc, 10 μM ATP, 0.2 μCi of [γ-33P]ATP, 7.5 μM substrate peptide (H2N-ARRRGVTTKTFCGT), and 60 ng of purified recombinant human PDK1. We added 25 mM EDTA and spotted a portion of the reaction mixture on Whatman P81 phosphocellulose paper after the mixture had been at room temperature for 4 hours.
Cell Assay
Low density cells (1,500–3,000 cells/well, 0.1 mL/well, 96-well plates) are incubated overnight. Compound treatments are created by adding 10 μL /well of the compound in 1% dimethyl sulfoxide and growth medium (final concentration of dimethyl sulfoxide, 0.1%), followed by a brief shaking. The viability of the treated cells is assessed after a 72-hour incubation period by adding 10 μL of the metabolic dye WST-1. The net signal is calculated by subtracting a no cell, or zero time cell, background from the WST-1 signal, which is read at 450 nm in a plate reader. Results are presented as the mean ± S.E. of two or more replicates.
Animal Protocol
NA;
References

[1]. J Biol Chem. 2005 May 20;280(20):19867-74.

[2]. J Biol Chem. 2009 May 22;284(21):14136-46.

[3]. Thromb Haemost. 2014 Mar3;111(3):508-17.

[4]. Antiviral Res. 2021 Oct;194:105145.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H26IN7O2S
Molecular Weight
591.4677
Exact Mass
591.09134
Elemental Analysis
C, 46.71; H, 4.43; I, 21.46; N, 16.58; O, 5.41; S, 5.42
CAS #
702675-74-9
Appearance
Solid powder
SMILES
C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I
InChi Key
VAVXGGRQQJZYBL-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
Chemical Name
N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
Synonyms
BX 795; BX-795; BX795
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: ~100 mg/mL (~169.1 mM)
Water: <1 mg/mL
Ethanol: <1 mg/mL
Solubility (In Vivo)
30% PEG400+0.5% Tween80+5% propylene glycol: 30mg/mL (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.6907 mL 8.4535 mL 16.9070 mL
5 mM 0.3381 mL 1.6907 mL 3.3814 mL
10 mM 0.1691 mL 0.8454 mL 1.6907 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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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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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
  • BX-795

  • BX-795
  • BX-795

    BX795 blocks the phosphorylation, nuclear translocation, and transcriptional activity of IRF3 and production of interferon β in response to TLR3 and TLR4 agonists.J Biol Chem.2009 May 22;284(21):14136-46.

  • BX-795

    BX795 selectively blocks IRF3 but not NFκB signaling.J Biol Chem.2009 May 22;284(21):14136-46.


  • BX-795

    The overexpression of TBK1 and IKKε leads to autophosphorylation and transphosphorylation of Ser-172.J Biol Chem.2009 May 22;284(21):14136-46.


  • BX-795

    BX795 increases the phosphorylation of Ser-172 and the catalytic activity of TBK1 and IKKε in response to LPS and poly(I:C).J Biol Chem.2009 May 22;284(21):14136-46.


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