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(S) -GSK1379725A

CAT: 0804-HY-145431Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-145431Size:1 Each
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Description
(S) -GSK1379725A (compound AU1) is a selective bromodomain and PHD finger containing transcription factor (BPTF) bromodomain inhibitor with a Kd of 2.8 μM. (S) -GSK1379725A shows to be selective for BPTF over BRD4 bromodomain. (S) -GSK1379725A shows antimalarial activity[1].
CAS Number
2359618-49-6
UNSPSC
12352005
Target
Epigenetic Reader Domain; Parasite
Type
Reference compound
Related Pathways
Anti-infection; Epigenetics
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/s-gsk1379725a.html
Solubility
10 mM in DMSO
Smiles
COC(C1=CC=CC(NC(N[C@@H](CC2)CN2C3=NC(NC4=CC=C(C=C4)F)=NC=C3)=O)=C1)=O
Molecular Formula
C23H23FN6O3
Molecular Weight
450.47
References & Citations
[1]Steven E Kirberger, et al. Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor. Org Biomol Chem. 2019 Feb 13;17 (7) :2020-2027.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Plasmodium

Chemical Information

Bptf-IN-1
CAS Number2359618-49-6
PubChem CID155812015
IUPAC Namemethyl 3-[[(3S)-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)N[C@H]2CCN(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)/t19-/m0/s1
InChIKey
LLVPDBRSUHNJQQ-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Bptf-IN-1
CAS: 2359618-49-6
CID: 155812015
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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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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