Rasagiline Mesylate - ≥99% , Monoamine oxidase B inhibitor, CAS No.161735-79-1, Monoamine oxidase B inhibitor

CAS: 161735-79-1 Cat. No.: R129875 Molecular Weight: 267.34 EC Number: 694-423-3 PubChem CID: 3052775

GRADE & PURITY ≥99%

Synonyms

(1R)-2,3-Dihydro-N-2-propynyl-1H-in den-1-amine methanesulfonate | s2102 | D02562 | MFCD08460604 | 1H-INDEN-1-AMINE, 2,3-DIHYDRO-N-2-PROPYNYL-, (R)-, METHANESULPHONATE | Rasagiline mesylate [USAN] | 1H-Inden-1-amine, 2,3-dihydro-N-2-propyn-1-yl-, (1R)-, m

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Rasagiline Mesylate is a new MAO-B inhibitor for the treatment of idiopathic Parkinson's disease.
A selective irreversible MAO-B inhibitor

Specifications

Synonyms

(1R)-2, 3-Dihydro-N-2-propynyl-1H-in den-1-amine methanesulfonate | s2102 | D02562 | MFCD08460604 | 1H-INDEN-1-AMINE, 2, 3-DIHYDRO-N-2-PROPYNYL-, (R)-, METHANESULPHONATE | Rasagiline mesylate [USAN] | 1H-Inden-1-amine, 2, 3-dihydro-N-2-propyn-1-yl-, (1R)-, m

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Rasagiline Mesylate is an antiparkinsonian and a selective irreversible MAO-B inhibitor. Rasagiline mesylate is an effective therapeutic option in early stages of Parkinson′s disease. It improves the motor fluctuations in levodopa-treated patients and may

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Mechanism of action

Monoamine oxidase B inhibitor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504762382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762382
• Canonical Smiles: CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12
• IUPAC Name: methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
• InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-N
• INCHI: 1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
• Isomeric SMILES: CS(=O)(=O)O.C#CCN[C@@H]1CCC2=CC=CC=C12
• WGK Germany: 3
• PubChem CID: 3052775
• Molecular Weight: 267.34

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: Not available
• 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 (2 Activities)

Discover Target: MAOB

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

MAOA Tclin Amine oxidase [flavin-containing] A (1 Activities)

Discover Target: MAOA

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 53 mg/mL Water 53 mg/mL Ethanol 53 mg/mL
• Sensitivity: Heat Sensitive
• Specific Rotation[α]: 21° (C=2,EtOH)
• Melt Point(°C): 157 °C
• Molecular Weight: 267.350 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 267.093 Da
• Monoisotopic Mass: 267.093 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 305.000
• 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: 2

XLogP3