GSK2807 Trifluoroacetate - ≥99% , CAS No.2245255-66-5

CAS: 2245255-66-5 Cat. No.: G649932 Molecular Weight: 566.5 PubChem CID: 134814505

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

GSK2807 Trifluoroacetate is a potent, selective and SAM-competitive inhibitor of SMYD3 , with a K i of 14 nM and an IC 50 of 130 nM

In Vitro

A high-resolution crystal structure reveals that GSK2807 bridges the gap between the SAM-binding pocket and the substrate lysine tunnel of SMYD3. GSK2807 is 24-fold selective for SMYD3 in comparison with the closely related enzyme SMYD2 (K i =14±6 nM and 345±36 nM, respectively). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:SMYD3|14 nM (Ki)|SMYD3|130 nM (IC|50|)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

GSK2807 Trifluoroacetate is a potent, selective and SAM-competitive inhibitor of SMYD3 , with a K i of 14 nM and an IC 50 of 130 nM.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN(C)CCCN(CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.C(=O)(C(F)(F)F)O
• 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
• InChIKey: FZPZIBBKUWOBTJ-CPQMNCBCSA-N
• 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
• PubChem CID: 134814505
• Molecular Weight: 566.5

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (176.51 mM; Need ultrasonic) H2O : ≥ 50 mg/mL (88.26 mM)
• Molecular Weight: 566.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 11
• Exact Mass: 566.242 Da
• Monoisotopic Mass: 566.242 Da
• Topological Polar Surface Area: 226.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 700.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3