GSK2807 TFA
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MedKoo CAT#: 407994

CAS#: 2245255-66-5 (TFA)

Description: GSK2807 is a potent and selective, SAM-competitive inhibitor of SMYD3 (Ki = 14 nM). GSK2807 bridges the gap between the SAM-binding pocket and the substrate lysine tunnel of SMYD3. GSK2807 may be useful for cancer treatment.


Price and Availability

Size
Price

50mg
USD 850
500mg
USD 2750
Size
Price

100mg
USD 1450
1g
USD 3950
Size
Price

200mg
USD 1950
2g
USD 7450

GSK2807 TFA, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407994
Name: GSK2807 TFA
CAS#: 2245255-66-5 (TFA)
Chemical Formula: C21H33F3N8O7
Exact Mass:
Molecular Weight: 566.5392
Elemental Analysis: C, 44.52; H, 5.87; F, 10.06; N, 19.78; O, 19.77


Related CAS #: 2245255-66-5 (TFA)   2245255-65-4 (free base)    

Synonym: GSK2807 TFA; GSK2807 trifluoroacetic acid; GSK2807; GSK-2807; GSK 2807

IUPAC/Chemical Name: (S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(dimethylamino)propyl)amino)butanoic acid compound with 2,2,2-trifluoroacetic acid (1:1)

InChi Key: FZPZIBBKUWOBTJ-CPQMNCBCSA-N

InChi Code: InChI=1S/C19H32N8O5.C2HF3O2/c1-25(2)5-3-6-26(7-4-11(20)19(30)31)8-12-14(28)15(29)18(32-12)27-10-24-13-16(21)22-9-23-17(13)27;3-2(4,5)1(6)7/h9-12,14-15,18,28-29H,3-8,20H2,1-2H3,(H,30,31)(H2,21,22,23);(H,6,7)/t11-,12+,14+,15+,18+;/m0./s1

SMILES Code: O=C(O)[C@@H](N)CCN(C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O)CCCN(C)C.O=C(O)C(F)(F)F


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

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).

Harmonized System Code:
2934990300


Additional Information

SMYD3 is a lysine methyltransferase overexpressed in colorectal, breast, prostate, and hepatocellular tumors, and has been implicated as an oncogene in human malignancies. Methylation of MEKK2 by SMYD3 is important for regulation of the MEK/ERK pathway, suggesting the possibility of selectively targeting SMYD3 in RAS-driven cancers.


References

1: Rajajeyabalachandran G, Kumar S, Murugesan T, Ekambaram S, Padmavathy R,
Jegatheesan SK, Mullangi R, Rajagopal S. Therapeutical potential of deregulated
lysine methyltransferase SMYD3 as a safe target for novel anticancer agents.
Expert Opin Ther Targets. 2017 Feb;21(2):145-157. doi:
10.1080/14728222.2017.1272580. Epub 2016 Dec 26. Review. PubMed PMID: 28019723.

2: Van Aller GS, Graves AP, Elkins PA, Bonnette WG, McDevitt PJ, Zappacosta F,
Annan RS, Dean TW, Su DS, Carpenter CL, Mohammad HP, Kruger RG. Structure-Based
Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure. 2016 May 3;24(5):774-781. doi: 10.1016/j.str.2016.03.010. Epub 2016
Apr 7. PubMed PMID: 27066749.