BX-795 hydrochloride | CAS# 1472611-45-2 | TBK1 and IKKε inhibitor

MedKoo Cat#: 574604 | Name: BX-795 HCl

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Description:

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

BX-795 hydrochloride is a TBK1 and IKKε inhibitor. BX-795 is a potential maternal embryonic leucine zipper kinase inhibitor.

Chemical Structure

BX-795 HCl

CAS#1472611-45-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 574604

Name: BX-795 HCl

CAS#: 1472611-45-2 (HCl)

Chemical Formula: C23H27ClIN7O2S

Exact Mass: 627.0680

Molecular Weight: 627.93

Elemental Analysis: C, 43.99; H, 4.33; Cl, 5.65; I, 20.21; N, 15.61; O, 5.10; S, 5.11

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 350.00	2 Weeks
25mg	USD 750.00	2 Weeks

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Related CAS #

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

Synonym

BX-795 hydrochloride; BX-795 HCl; BX795 HCl; BX 795 HCl

IUPAC/Chemical Name

N-(3-(5-Iodo-4-(3-(thiophene-2-carboxamido)propylamino)pyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide Hydrochloride

InChi Key

KDSWLWHEZMPRTQ-UHFFFAOYSA-N

InChi Code

InChI=1S/C23H26IN7O2S.ClH/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);1H

SMILES Code

O=C(N1CCCC1)NC2=CC=CC(NC3=NC=C(I)C(NCCCNC(C4=CC=CS4)=O)=N3)=C2.[H]Cl

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

>3 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

Instruction

View handling instruction

Biological target:

TBD

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/

Preparing Stock Solutions

The following data is based on the product molecular weight 627.93 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.

1. Su AR, Qiu M, Li YL, et al. BX-795 inhibits HSV-1 and HSV-2 replication by blocking the JNK/p38 pathways without interfering with PDK1 activity in host cells. Acta Pharmacol Sin. 2017;38(3):402-414. doi:10.1038/aps.2016.160 2. Choi EA, Choi YS, Lee EJ, Singh SR, Kim SC, Chang S. A pharmacogenomic analysis using L1000CDS2 identifies BX-795 as a potential anticancer drug for primary pancreatic ductal adenocarcinoma cells. Cancer Lett. 2019;465:82-93. doi:10.1016/j.canlet.2019.08.002