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GSK1379725A

CAT: 0804-HY-112398-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112398-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK1379725A is a selective BPTF ligand with a Kd of 2.8 uM, showing no binding activity for Brd4[1].
CAS Number
1802251-00-8
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/GSK1379725A.html
Purity
98.06
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC)C1=CC=CC(NC(NC2CN(C3=NC(NC4=CC=C(F)C=C4)=NC=C3)CC2)=O)=C1
Molecular Formula
C23H23FN6O3
Molecular Weight
450.47
Precautions
H315, H319
References & Citations
[1]Urick AK, et al. Dual Screening of BPTF and Brd4 Using Protein-Observed Fluorine NMR Uncovers New Bromodomain Probe Molecules. ACS Chem Biol. 2015 Oct 16;10 (10) :2246-56.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methyl 3-[[1-[2-(4-fluoroanilino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamoylamino]benzoate
CAS Number1802251-00-8
PubChem CID44525934
IUPAC Namemethyl 3-[[1-[2-(4-fluoroanilino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamoylamino]benzoate
Molecular FormulaC23H23FN6O3
Molecular Weight450.5
XLogP3.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity662
SMILES
COC(=O)C1=CC(=CC=C1)NC(=O)NC2CCN(C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)F
InChI
InChI=1S/C23H23FN6O3/c1-33-21(31)15-3-2-4-18(13-15)27-23(32)28-19-10-12-30(14-19)20-9-11-25-22(29-20)26-17-7-5-16(24)6-8-17/h2-9,11,13,19H,10,12,14H2,1H3,(H,25,26,29)(H2,27,28,32)
InChIKey
LLVPDBRSUHNJQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-[[1-[2-(4-fluoroanilino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamoylamino]benzoate
CAS: 1802251-00-8
CID: 44525934
Formula: C23H23FN6O3
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass450.18156678
Monoisotopic Mass450.18156678
Topological Polar Surface Area108 Ų
Heavy Atom Count33
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4741-1GSK1379725A
A19406-200GSK1379725A 200mg
A19406-25GSK1379725A 25mg
A19406-5GSK1379725A 5mg
A19406-50GSK1379725A 50mg
A19406-10GSK1379725A 10mg
A19406-100GSK1379725A 100mg
A19406-1GSK1379725A 1mg
A19406-10mM-DGSK1379725A 10mM * 1mL in DMSO

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