(S)-Rasagiline - ≥98%(HPLC) , CAS No.185517-74-2

CAS: 185517-74-2 Cat. No.: T168127 Molecular Weight: 171.24 EC Number: 803-077-6 PubChem CID: 5289310

GRADE & PURITY ≥98%(HPLC)

Synonyms

HY-14200 | (S)-N-2-propynyl-1-indanamine | Q27094763 | AS-32581 | BDBM11000 | DTXSID001232866 | 4KM7HJ6CBA | N-propargyl-1-(s)aminoindan | N-PROPARGYL-1(S)-AMINOINDAN | (1S)-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine | SCHEMBL332967 | TVP1022;S-PAI | J

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

(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.

Specifications

Synonyms

HY-14200 | (S)-N-2-propynyl-1-indanamine | Q27094763 | AS-32581 | BDBM11000 | DTXSID001232866 | 4KM7HJ6CBA | N-propargyl-1-(s)aminoindan | N-PROPARGYL-1(S)-AMINOINDAN | (1S)-N-prop-2-yn-1-yl-2, 3-dihydro-1H-inden-1-amine | SCHEMBL332967 | TVP1022;S-PAI | J

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

TVP1022, the S-isomer of rasagiline, an anti-Parkinson drug, appears to have the same neuroprotective activity as the R-isomer, but is 1000-fold less active as an MAO-B inhibitor. TVP1022, a neuroprotective and cytoprotective molecule, is also cardioprote

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504763524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763524
• Canonical Smiles: C#CCNC1CCC2=CC=CC=C12
• IUPAC Name: (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
• InChIKey: RUOKEQAAGRXIBM-LBPRGKRZSA-N
• 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
• Isomeric SMILES: C#CCN[C@H]1CCC2=CC=CC=C12
• WGK Germany: 3
• RTECS: NK8216500
• PubChem CID: 5289310
• Molecular Weight: 171.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Aralkylamines Dialkylamines Acetylides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Aralkylamine - Acetylide - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Maob Monoamine oxidase (439 Activities)

Discover Target: Maob

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 171.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 171.105 Da
• Monoisotopic Mass: 171.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1