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Tisolagiline

CAT: 0013-GTR19220102-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220102-02Size:5 mg
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Description
Tisolagiline (KDS2010) is a potent, orally active, and reversible MAO-B inhibitor with an IC50 of 8 nM. It is a research compound investigated for Alzheimer's disease and obesity, with studies demonstrating its effects in both in vitro enzymatic assays and in vivo animal models.
CAS Number
1894207-44-3
Product Name Alternative
KDS 2010, KDS2010, KDS-2010, MonoamineOxidase, Monoamine Oxidase, Tisolagiline
Field of Research
Metabolism Research, Neuroscience
Purity
99.65% (May vary between batches)
Solubility
DMSO:80 mg/mL (248.19 mM) ;10% DMSO+90% Corn Oil:3.3 mg/mL (10.24 mM)
Smiles
C (F) (F) (F) C1=CC=C (C=C1) C2=CC=C (CN[C@H] (C (N) =O) C) C=C2
Molecular Formula
C17H17F3N2O
Molecular Weight
322.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tisolagiline

Tisolagiline is a small molecule drug. The usage of the INN stem '-giline' in the name indicates that Tisolagiline is a monoamine oxydase (MAO)-inhibitor type B. Tisolagiline has a monoisotopic molecular weight of 322.13 Da.

CAS Number1894207-44-3
PubChem CID132023446
IUPAC Name(2S)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]propanamide
Molecular FormulaC17H17F3N2O
Molecular Weight322.32
XLogP3.1
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity384
SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C17H17F3N2O/c1-11(16(21)23)22-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)17(18,19)20/h2-9,11,22H,10H2,1H3,(H2,21,23)/t11-/m0/s1
InChIKey
XCUXYNYVUMLDKH-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Tisolagiline
CAS: 1894207-44-3
CID: 132023446
Formula: C17H17F3N2O
MW: 322.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.32
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass322.12929766
Monoisotopic Mass322.12929766
Topological Polar Surface Area55.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity384
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

Alternative Products

CatalogName
BA8512-25Tisolagiline
HY-127109B-01Tisolagiline (methylsulfate)
HY-127109A-01Tisolagiline (monomethylsulfate)

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