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2-PAT

CAT: 0013-GTR19212027-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212027-02Size:50 mg
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Description
2-PAT is a reversible inhibitor of monoamine oxidase A (MAO-A) with an IC50 of 0.721 μM and an inactivator of MAO-B (IC50 = 14.6 μM) . This small molecule, structurally related to Rasagiline and Selegiline, is a research tool for investigating Parkinson's disease and depression in biochemical and cellular assays.
CAS Number
134467-58-6
Field of Research
Neuroscience
Smiles
N (CC#C) C1CC=2C (CC1) =CC=CC2
Molecular Formula
C13H15N
Molecular Weight
185.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Naphthalenamine, 1,2,3,4-tetrahydro-N-2-propynyl-, hydrochloride
CAS Number134467-58-6
PubChem CID18331755
IUPAC NameN-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
Molecular FormulaC13H16ClN
Molecular Weight221.72
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
C#CCNC1CCC2=CC=CC=C2C1.Cl
InChI
InChI=1S/C13H15N.ClH/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13;/h1,3-6,13-14H,7-10H2;1H
InChIKey
MDVXBHPESLNWBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthalenamine, 1,2,3,4-tetrahydro-N-2-propynyl-, hydrochloride
CAS: 134467-58-6
CID: 18331755
Formula: C13H16ClN
MW: 221.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass221.0971272
Monoisotopic Mass221.0971272
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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