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PF-DcpSi

CAT: 0013-GTR19237997-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237997-02Size:50 mg
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Description
PF-DcpSi is a potent small molecule inhibitor of the mRNA decapping scavenger enzyme DcpS, exhibiting an IC50 of 0.11 nM. In vivo, intraperitoneal administration at 30 mg/kg ameliorates the disease phenotype in a spinal muscular atrophy (SMA) mouse model, supporting its use in neurodegenerative disease research.
CAS Number
2092917-19-4
Smiles
N#CC1=CC (F) =CC (OCC=2C=CC=C3N=C (N=C (N) C32) N) =C1
Molecular Formula
C16H12FN5O
Molecular Weight
309.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((2,4-Diaminoquinazolin-5-yl)methoxy)-5-fluorobenzonitrile
CAS Number2092917-19-4
PubChem CID132574708
IUPAC Name3-[(2,4-diaminoquinazolin-5-yl)methoxy]-5-fluorobenzonitrile
Molecular FormulaC16H12FN5O
Molecular Weight309.30
XLogP2.1
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity455
SMILES
C1=CC(=C2C(=C1)N=C(N=C2N)N)COC3=CC(=CC(=C3)C#N)F
InChI
InChI=1S/C16H12FN5O/c17-11-4-9(7-18)5-12(6-11)23-8-10-2-1-3-13-14(10)15(19)22-16(20)21-13/h1-6H,8H2,(H4,19,20,21,22)
InChIKey
QSISRBIBWYHJGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((2,4-Diaminoquinazolin-5-yl)methoxy)-5-fluorobenzonitrile
CAS: 2092917-19-4
CID: 132574708
Formula: C16H12FN5O
MW: 309.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.30
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass309.10258819
Monoisotopic Mass309.10258819
Topological Polar Surface Area111 Ų
Heavy Atom Count23
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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