BX-795

Cas：702675-74-9

Product Information：

BX-795 is a potent PDK1 inhibitor. BX-795 also suppresses MARK1, MARK2, MARK4, NUAK1,

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

Synonym: 

BX-795

BX 795

BX795

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

Technical Data：

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

In Vitro：

BX-795 effectively blocks PDK1 activity in PC-3 cells, as shown by their ability to block phosphorylation of S6K1, Akt, PKCδ, and GSK3β. BX-795 potently inhibits tumor cell growth on plastic with IC50 of 1.6, 1.4, and 1.9 μM for MDA-468, HCT-116 and MiaPaca cells, respectively. In soft agar, BX-795 displays higher growth inhibition with IC50 of 0.72, and 0.25 μM for MDA-468, and PC-3 cells, respectively. In addition, BX-795, as an inhibitor of the TBK1/IKKε, blocks TBK1- and IKKε-mediated activation of IRF3 and production of IFN-β. In platelet physiological responses, BX-795 produces inhibitory effect on 2-MeSADP-induced or collagen-induced aggregation, ATP secretion and thromboxane generation.

References：

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.ubMed Central PMCID: PMC5613315.

Products are for research use only. Not for human use.