Products for Research Use Only

PDE7-IN-2

CAT: 0013-GTR19201517-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201517-02Size:5 mg
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Description
PDE7-IN-2 is a phosphodiesterase 7 inhibitor with an IC50 of 2.1 μM. This compound is a useful research tool for investigating Parkinson's disease mechanisms in both cellular and animal models, based on its role in modulating cyclic nucleotide signaling pathways.
CAS Number
107522-19-0
Field of Research
Metabolism Research, Signal Transduction
Smiles
S (C1=C (N (=O) =O) C=CC (Cl) =C1) C2=C (NC (C) =O) C=CC=C2
Molecular Formula
C14H11ClN2O3S
Molecular Weight
322.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Acetamidophenyl 5-chloro-2-nitrophenyl sulfide
CAS Number107522-19-0
PubChem CID101886690
IUPAC NameN-[2-(5-chloro-2-nitrophenyl)sulfanylphenyl]acetamide
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.8
XLogP3.3
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity391
SMILES
CC(=O)NC1=CC=CC=C1SC2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN2O3S/c1-9(18)16-11-4-2-3-5-13(11)21-14-8-10(15)6-7-12(14)17(19)20/h2-8H,1H3,(H,16,18)
InChIKey
LAFNJWWMXIXPJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetamidophenyl 5-chloro-2-nitrophenyl sulfide
CAS: 107522-19-0
CID: 101886690
Formula: C14H11ClN2O3S
MW: 322.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass322.0178911
Monoisotopic Mass322.0178911
Topological Polar Surface Area100 Ų
Heavy Atom Count21
Formal Charge0
Complexity391
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