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(S) -Rasagiline

CAT: 0804-HY-14200-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14200-01Size:10 mg
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Description
(S) -Rasagiline (TVP1022) is the relatively inactive S-enantiomer form of Rasagiline. Rasagiline is a highly potent selective irreversible MAO inhibitor with IC50s of 4.43 nM and 412 nM for rat brain MAO B and A activity, respectively[1]. (S) -Rasagiline is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
185517-74-2
Product Name Alternative
TVP1022; S-PAI
UNSPSC
12352005
Hazard Statement
H302, H400
Target
Monoamine Oxidase
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/TVP1022.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic) |Ethanol : 100 mg/mL (ultrasonic)
Smiles
C#CCN[C@H]1CCC2=CC=CC=C21
Molecular Formula
C12H13N
Molecular Weight
171.24
Precautions
H302, H400
References & Citations
[1]M B Youdim, et al. Rasagiline [N-propargyl-1R (+) -aminoindan], a selective and potent inhibitor of mitochondrial monoamine oxidase B. Br J Pharmacol. 2001 Jan;132 (2) :500-6.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CAS Number185517-74-2
PubChem CID5289310
IUPAC Name(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
Molecular FormulaC12H13N
Molecular Weight171.24
XLogP1.8
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity212
SMILES
C#CCN[C@H]1CCC2=CC=CC=C12
InChI
InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1
InChIKey
RUOKEQAAGRXIBM-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CAS: 185517-74-2
CID: 5289310
Formula: C12H13N
MW: 171.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.24
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass171.104799419
Monoisotopic Mass171.104799419
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity212
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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