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