(S)-(+)-Dimethindene maleate - ≥99% , CAS No.136152-65-3

CAS: 136152-65-3 Cat. No.: S288356 Molecular Weight: 408.50 PubChem CID: 56972160

GRADE & PURITY ≥99%

Synonyms

(+)-dimethindene maleate | MS-27022 | Tox21_113582 | Dimethindene maleate, (+)- | Dimethindene maleate, (S)-(+)- | DTXSID8049040 | HMS3267J12 | N,N-Dimethyl-3-[(1S)-1-(2-pyridinyl)ethyl]-1H-indene-2-ethanamine maleate | (S)-N,N-dimethyl-2-(3-(1-(pyridin-2

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

(S)-(+)-Dimethindene maleate, an enantiomer, is a potent M2-selective muscarinic receptor antagonist (pA2 = 7.86/7.74; pKi = 7.78). (S)-(+)-Dimethindene maleate shows lower affinities for the muscarinic M1 (pA2 = 6.83/6.36; pKi = 7.08), the M3 (pA2 = 6.92/6.96; pKi = 6.70) and the M4 receptors (pKi = 7.00), respectively. (S)-(+)-Dimethindene maleate also is a histamine H1 receptor antagonist (pA2 = 7.48).

Specifications

Synonyms

(+)-dimethindene maleate | MS-27022 | Tox21_113582 | Dimethindene maleate, (+)- | Dimethindene maleate, (S)-(+)- | DTXSID8049040 | HMS3267J12 | N, N-Dimethyl-3-[(1S)-1-(2-pyridinyl)ethyl]-1H-indene-2-ethanamine maleate | (S)-N, N-dimethyl-2-(3-(1-(pyridin-2

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Enantiomer that is a subtype-selective M2muscarinic receptor antagonist (pKivalues are 7.08, 7.78, 6.70 and 7.00 for M1, M2, M3and M4receptors respectively). Also H1histamine receptor antagonist (pKi= 7.48). Allows formation of extended pluripotent stem (

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
• InChIKey: SWECWXGUJQLXJF-HFNHQGOYSA-N
• INCHI: 1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m1./s1
• Isomeric SMILES: C[C@H](C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=C\C(=O)O)\C(=O)O
• Alternate CAS: 121367-05-3
• PubChem CID: 56972160
• Molecular Weight: 408.50

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Unsaturated fatty acids Pyridines and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Indene - Dicarboxylic acid or derivatives - Pyridine - Unsaturated fatty acid - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene 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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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: Solvent:water, Max Conc. mg/mL: 29.24, Max Conc. mM: 100 with gentle warming
• Sensitivity: Light and Moisture sensitive
• Molecular Weight: 408.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 408.205 Da
• Monoisotopic Mass: 408.205 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 517.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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