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GSK2807 Trifluoroacetate

CAT: 0013-GTR19177284-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177284-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK2807 Trifluoroacetate is a potent and selective SMYD3 inhibitor that competes with S-adenosylmethionine (SAM), exhibiting a Ki of 14 nM and an IC50 of 130 nM. This compound is a valuable chemical probe for studying SMYD3's role in oncology and epigenetics, supporting both in vitro biochemical assays and in vivo cancer model research.
CAS Number
2245255-66-5
Product Name Alternative
Inhibit, Inhibitor, GSK 2807, GSK 2807 Trifluoroacetate, GSK-2807, GSK2807 Trifluoroacetate, GSK-2807 Trifluoroacetate, GSK2807, Histone Methyltransferase, HistoneMethyltransferase, SMYD3
Field of Research
Epigenetics & Chromatin
Purity
99.61% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.53 mM) ; H2O:50 mg/mL (88.26 mM)
Smiles
OC (=O) C (F) (F) F.CN (C) CCCN (CC[C@H] (N) C (O) =O) C[C@H]1O[C@H] ([C@H] (O) [C@@H]1O) n1cnc2c (N) ncnc12
Molecular Formula
C21H33F3N8O7
Molecular Weight
566.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GSK2807 Trifluoroacetate
CAS Number2245255-66-5
PubChem CID134814505
IUPAC Name(2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-(dimethylamino)propyl]amino]butanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC21H33F3N8O7
Molecular Weight566.5
Topological Polar Surface Area226
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity700
SMILES
CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C(=O)(C(F)(F)F)O
InChI
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
InChIKey
FZPZIBBKUWOBTJ-CPQMNCBCSA-N
Chemical Structure
2D Structure
2D structure of GSK2807 Trifluoroacetate
CAS: 2245255-66-5
CID: 134814505
Formula: C21H33F3N8O7
MW: 566.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Exact Mass566.24242991
Monoisotopic Mass566.24242991
Topological Polar Surface Area226 Ų
Heavy Atom Count39
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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