BX795 | CAS#702675-74-9 | PDK1 inhibitor

MedKoo Cat#: 401158 | Name: BX795

Description:

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

BX795 is a potent PDK1 inhibitor. BX795 also suppresses MARK1, MARK2, MARK4, NUAK1,

Chemical Structure

BX795

CAS#702675-74-9 (free base)

Theoretical Analysis

MedKoo Cat#: 401158

Name: BX795

CAS#: 702675-74-9 (free base)

Chemical Formula: C23H26IN7O2S

Exact Mass: 591.0913

Molecular Weight: 591.47

Elemental Analysis: C, 46.71; H, 4.43; I, 21.46; N, 16.58; O, 5.41; S, 5.42

Price and Availability

Size	Price	Availability
25mg	USD 250.00	2 Weeks
50mg	USD 450.00	2 Weeks
100mg	USD 650.00	2 Weeks
200mg	USD 950.00	2 Weeks
500mg	USD 1,650.00	2 Weeks
1g	USD 2,850.00	2 Weeks
2g	USD 4,950.00	2 Weeks

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Related CAS #

1472611-45-2 (HCl) 702675-74-9 (free base)

Synonym

BX-795; BX 795; BX795.

IUPAC/Chemical Name

N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide

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)

SMILES Code

O=C(N1CCCC1)NC2=CC=CC(NC3=NC=C(I)C(NCCCNC(C4=CC=CS4)=O)=N3)=C2

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, not in water

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

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#APB80420

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

BX795 is a potent and selective inhibitor of PDK1, with an IC50 of 6 nM.

In vitro activity:

BX795 when added prophylactically to human vaginal keratinocytes generates strong preventative effects against a future HSV-2 infection. BX795 efficiently reduces phosphorylation of AKT and its downstream targets p70S6K and 4EBP1. Reference: Antiviral Res. 2021 Jul 22;194:105145. https://pubmed.ncbi.nlm.nih.gov/34303747/

In vivo activity:

At 1 day postinfection (dpi), mice were treated topically via intravaginal route using DMSO, BX795 (10 μM), or BX795 (50 μM). Interestingly, no evident protection was seen in animals treated with 10 μM BX795 when compared to DMSO control group mice. However, significant loss of infection was found in mice that were treated with 50 μM BX795. Reference: Antimicrob Agents Chemother. 2020 Sep; 64(9): e00245-20. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7449169/

	Solvent	mg/mL	mM
Solubility
	DMSO	40.6	68.57
	DMF	12.5	21.13
	DMF:PBS (pH 7.2) (1:4)	0.2	0.34
	Ethanol	59.2	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 591.47 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. Madavaraju K, Yadavalli T, Singh SK, Qatanani F, Shukla D. Prophylactic treatment with BX795 blocks activation of AKT and its downstream targets to protect vaginal keratinocytes and vaginal epithelium from HSV-2 infection. Antiviral Res. 2021 Jul 22;194:105145. doi: 10.1016/j.antiviral.2021.105145. Epub ahead of print. PMID: 34303747. 2. Iqbal A, Suryawanshi R, Yadavalli T, Volety I, Shukla D. BX795 demonstrates potent antiviral benefits against herpes simplex Virus-1 infection of human cell lines. Antiviral Res. 2020 Aug;180:104814. doi: 10.1016/j.antiviral.2020.104814. Epub 2020 May 5. PMID: 32380150; PMCID: PMC7387215. 3. Hopkins J, Yadavalli T, Suryawanshi R, Qatanani F, Volety I, Koganti R, Iqbal A, Shukla D. In Vitro and In Vivo Activity, Tolerability, and Mechanism of Action of BX795 as an Antiviral against Herpes Simplex Virus 2 Genital Infection. Antimicrob Agents Chemother. 2020 Aug 20;64(9):e00245-20. doi: 10.1128/AAC.00245-20. PMID: 32601167; PMCID: PMC7449169.

In vitro protocol:

In vivo protocol:

1. Hopkins J, Yadavalli T, Suryawanshi R, Qatanani F, Volety I, Koganti R, Iqbal A, Shukla D. In Vitro and In Vivo Activity, Tolerability, and Mechanism of Action of BX795 as an Antiviral against Herpes Simplex Virus 2 Genital Infection. Antimicrob Agents Chemother. 2020 Aug 20;64(9):e00245-20. doi: 10.1128/AAC.00245-20. PMID: 32601167; PMCID: PMC7449169.

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