BX795
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 401158

CAS#: 702675-74-9

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


Chemical Structure

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BX795
CAS# 702675-74-9

Theoretical Analysis

MedKoo Cat#: 401158
Name: BX795
CAS#: 702675-74-9
Chemical Formula: C23H26IN7O2S
Exact Mass: 591.09134
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 Quantity
25.0mg USD 250.0 2 Weeks
50.0mg USD 450.0 2 Weeks
100.0mg USD 650.0 2 Weeks
200.0mg USD 950.0 2 Weeks
500.0mg USD 1650.0 2 Weeks
1.0g USD 2850.0 2 Weeks
2.0g USD 4950.0 2 Weeks
Bulk inquiry

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

Product Data:

Certificate of Analysis:

Safety Data Sheet (SDS):

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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 40.56 68.57
DMF 12.5 21.13
DMF:PBS (pH 7.2) (1:4) 0.2 0.34
Ethanol 59.15 100.0

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.

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. 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: 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.
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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1: Miyabe H, Hyodo M, Nakamura T, Sato Y, Hayakawa Y, Harashima H. A new adjuvant delivery system 'cyclic di-GMP/YSK05 liposome' for cancer immunotherapy. J Control Release. 2014 Jun 28;184:20-7. doi: 10.1016/j.jconrel.2014.04.004. Epub 2014 Apr 13. PubMed PMID: 24727060.

2: Dangelmaier C, Manne BK, Liverani E, Jin J, Bray P, Kunapuli SP. PDK1 selectively phosphorylates Thr(308) on Akt and contributes to human platelet functional responses. Thromb Haemost. 2014 Mar 3;111(3):508-17. doi: 10.1160/TH13-06-0484. Epub 2013 Dec 19. PubMed PMID: 24352480; PubMed Central PMCID: PMC4079046.

3: Parsons KS, Hsu AC, Wark PA. TLR3 and MDA5 signalling, although not expression, is impaired in asthmatic epithelial cells in response to rhinovirus infection. Clin Exp Allergy. 2014 Jan;44(1):91-101. doi: 10.1111/cea.12218. PubMed PMID: 24131248.

4: Sun Q, Sammut B, Wang FM, Kurihara N, Windle JJ, Roodman GD, Galson DL. TBK1 mediates critical effects of measles virus nucleocapsid protein (MVNP) on pagetic osteoclast formation. J Bone Miner Res. 2014 Jan;29(1):90-102. doi: 10.1002/jbmr.2026. PubMed PMID: 23794264; PubMed Central PMCID: PMC3870038.

5: Minegishi Y, Iejima D, Kobayashi H, Chi ZL, Kawase K, Yamamoto T, Seki T, Yuasa S, Fukuda K, Iwata T. Enhanced optineurin E50K-TBK1 interaction evokes protein insolubility and initiates familial primary open-angle glaucoma. Hum Mol Genet. 2013 Sep 1;22(17):3559-67. doi: 10.1093/hmg/ddt210. Epub 2013 May 12. PubMed PMID: 23669351.

6: Awe JP, Crespo AV, Li Y, Kiledjian M, Byrne JA. BAY11 enhances OCT4 synthetic mRNA expression in adult human skin cells. Stem Cell Res Ther. 2013 Feb 6;4(1):15. doi: 10.1186/scrt163. PubMed PMID: 23388106; PubMed Central PMCID: PMC3706837.

7: McIver EG, Bryans J, Birchall K, Chugh J, Drake T, Lewis SJ, Osborne J, Smiljanic-Hurley E, Tsang W, Kamal A, Levy A, Newman M, Taylor D, Arthur JS, Clark K, Cohen P. Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKε kinases. Bioorg Med Chem Lett. 2012 Dec 1;22(23):7169-73. doi: 10.1016/j.bmcl.2012.09.063. Epub 2012 Sep 28. PubMed PMID: 23099093.

8: Sutlu T, Nyström S, Gilljam M, Stellan B, Applequist SE, Alici E. Inhibition of intracellular antiviral defense mechanisms augments lentiviral transduction of human natural killer cells: implications for gene therapy. Hum Gene Ther. 2012 Oct;23(10):1090-100. doi: 10.1089/hum.2012.080. Epub 2012 Sep 10. PubMed PMID: 22779406; PubMed Central PMCID: PMC3472531.

9: Clark K, Plater L, Peggie M, Cohen P. Use of the pharmacological inhibitor BX795 to study the regulation and physiological roles of TBK1 and IkappaB kinase epsilon: a distinct upstream kinase mediates Ser-172 phosphorylation and activation. J Biol Chem. 2009 May 22;284(21):14136-46. doi: 10.1074/jbc.M109.000414. Epub 2009 Mar 22. PubMed PMID: 19307177; PubMed Central PMCID: PMC2682862.

BX795

25.0mg / USD 250.0


Additional Information