BX-517
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    WARNING: This product is for research use only, not for human or veterinary use.

Hodoodo CAT#: H530426

CAS#: 850717-64-5

Description: BX-517, also known as PDK1 inhibitor2, is a potent and selective PDK1 inhibitor.


Chemical Structure

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BX-517
CAS# 850717-64-5

Theoretical Analysis

Hodoodo Cat#: H530426
Name: BX-517
CAS#: 850717-64-5
Chemical Formula: C15H14N4O2
Exact Mass: 282.11
Molecular Weight: 282.303
Elemental Analysis: C, 63.82; H, 5.00; N, 19.85; O, 11.33

Price and Availability

Size Price Availability Quantity
10mg USD 110 Ready to ship
25mg USD 190 Ready to ship
50mg USD 350 Ready to ship
100mg USD 550 Ready to ship
200mg USD 950 Ready to ship
500mg USD 1850 Ready to ship
1g USD 2950 Ready to ship
2g USD 5250 Ready to ship
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Synonym: BX-517; BX 517; BX517; PDK1 inhibitor2.

IUPAC/Chemical Name: (Z)-N-(3-(1-(1H-pyrrol-2-yl)ethylidene)-2-hydroxy-3H-indol-5-yl)carbamimidic acid

InChi Key: DFURSNCTQGJRRX-JYRVWZFOSA-N

InChi Code: InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8-

SMILES Code: OC(NC1=CC2=C(N=C(O)/C2=C(C3=CC=CN3)/C)C=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: BX517 is an inhibitor of PDK1 with IC50 of 6 nM.
In vitro activity: Based on potency and ease of synthesis 4i (BX517) was selected for further evaluation (Table 5). 4i had similar activity in the PDK1 assay and in the PDK1 mediated AKT2 activation assay (cAKT2) supporting that these indolinone inhibitors blocked Akt activity by inhibiting PDK1. Additionally, 4i blocked AKT2 activation in cells with submicromolar potency. The PKA selectivity was 320-fold, exceeding the goal of the project. Because of the close homology of PKA with PDK1, we hypothesized that a compound with high selectivity against PKA would also have high selectivity against other kinases. This was borne out by further profiling. 4i was 100-fold selective or better against a panel of seven additional Ser/Thr and Tyr kinases. Reference: Bioorg Med Chem Lett. 2007 Jul 15;17(14):3814-8. https://pubmed.ncbi.nlm.nih.gov/17531483/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 41.5 147.01

Preparing Stock Solutions

The following data is based on the product molecular weight 282.30 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. Islam I, Bryant J, Chou YL, Kochanny MJ, Lee W, Phillips GB, Yu H, Adler M, Whitlow M, Ho E, Lentz D, Polokoff MA, Subramanyam B, Wu JM, Zhu D, Feldman RI, Arnaiz DO. Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3814-8. doi: 10.1016/j.bmcl.2007.04.071. Epub 2007 Apr 27. PMID: 17531483.
In vitro protocol: 1. Islam I, Bryant J, Chou YL, Kochanny MJ, Lee W, Phillips GB, Yu H, Adler M, Whitlow M, Ho E, Lentz D, Polokoff MA, Subramanyam B, Wu JM, Zhu D, Feldman RI, Arnaiz DO. Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3814-8. doi: 10.1016/j.bmcl.2007.04.071. Epub 2007 Apr 27. PMID: 17531483.
In vivo protocol: TBD

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1: Islam I, Brown G, Bryant J, Hrvatin P, Kochanny MJ, Phillips GB, Yuan S, Adler M, Whitlow M, Lentz D, Polokoff MA, Wu J, Shen J, Walters J, Ho E, Subramanyam B, Zhu D, Feldman RI, Arnaiz DO. Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3819-25. PubMed PMID: 17544272.

2: Islam I, Bryant J, Chou YL, Kochanny MJ, Lee W, Phillips GB, Yu H, Adler M, Whitlow M, Ho E, Lentz D, Polokoff MA, Subramanyam B, Wu JM, Zhu D, Feldman RI, Arnaiz DO. Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3814-8. PubMed PMID: 17531483.