Indacaterol Maleate - ≥98%(HPLC) , Beta-2 adrenergic receptor agonist, CAS No.753498-25-8, Beta-2 adrenergic receptor agonist

CAS: 753498-25-8 Cat. No.: I157518 Molecular Weight: 508.57 PubChem CID: 9827599

GRADE & PURITY ≥98%(HPLC)

Synonyms

Indacaterol maleate [USAN] | 1-(2,3-Dwuhydroksypropylo)-teobrominy [Polish] | INDACATEROL MALEATE [EMA EPAR] | (R)-5-(2-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one maleate | AMY7273 | QAB-149 maleate | INDACA

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Indacaterol maleate [USAN] | 1-(2, 3-Dwuhydroksypropylo)-teobrominy [Polish] | INDACATEROL MALEATE [EMA EPAR] | (R)-5-(2-((5, 6-diethyl-2, 3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one maleate | AMY7273 | QAB-149 maleate | INDACA

Specifications & Purity

≥98%(HPLC)

Storage

Protected from light, 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

AGONIST

Mechanism of action

Beta-2 adrenergic receptor agonist

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764920
• Canonical Smiles: CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• InChIKey: IREJFXIHXRZFER-PCBAQXHCSA-N
• INCHI: 1S/C24H28N2O3.C4H4O4/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1
• Isomeric SMILES: CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.C(=C\C(=O)O)\C(=O)O
• PubChem CID: 9827599
• Molecular Weight: 508.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolones
• Alternative Parents: Hydroxyquinolines Hydroquinolones 8-hydroxyquinolines Hydroquinolines Indanes Pyridinones 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Lactams Dialkylamines Azacyclic compounds Carboxylic acids Aromatic alcohols Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Hydroxyquinolone - Dihydroquinolone - Hydroxyquinoline - 8-hydroxyquinoline - Dihydroquinoline - Indane - 1-hydroxy-2-unsubstituted benzenoid - Pyridinone - Aralkylamine - Dicarboxylic acid or derivatives - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Secondary alcohol - Lactam - 1,2-aminoalcohol - Secondary amine - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
• External Descriptors: maleate salt

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)

Homo sapiens (32628 Activities)

Explore this target

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

• Sensitivity: Light sensitive
• Molecular Weight: 508.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 508.221 Da
• Monoisotopic Mass: 508.221 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 708.000
• 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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