Almotriptan Malate - ≥98% , Serotonin 1d (5-HT1d) receptor agonist, CAS No.181183-52-8, Serotonin 1d (5-HT1d) receptor agonist

CAS: 181183-52-8 Cat. No.: A129703 Molecular Weight: 469.55 EC Number: 815-382-1

GRADE & PURITY ≥98%

Synonyms

CCG-269445 | ALMOTRIPTAN MALATE (USP MONOGRAPH) | DTXCID9024225 | HY-B0383 | ALMOTRIPTAN MALATE (EP MONOGRAPH) | HMS3884P05 | ALMOTRIPTAN MALATE [EP MONOGRAPH] | BCP9000276 | s2096 | Axert (TN) | MFCD08067740 | 3-[2-(Dimethylamino)ethyl]-5-(pyrrolidin-1-y

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Almotriptan Malate is a selective 5-hydroxytryptamine1B/1D (5-HT1B/1D) receptor agonist, used for the treatment of Migraine attacks in adults
A serotonin 5HT1B /1D-receptor agonist used for treatment of migraines.

Specifications

Synonyms

CCG-269445 | ALMOTRIPTAN MALATE (USP MONOGRAPH) | DTXCID9024225 | HY-B0383 | ALMOTRIPTAN MALATE (EP MONOGRAPH) | HMS3884P05 | ALMOTRIPTAN MALATE [EP MONOGRAPH] | BCP9000276 | s2096 | Axert (TN) | MFCD08067740 | 3-[2-(Dimethylamino)ethyl]-5-(pyrrolidin-1-y

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Almotriptan Malate is a serotonin 5HT1B /1D-receptor agonist used for treatment of migraines.

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

AGONIST

Mechanism of action

Serotonin 1d (5-HT1d) receptor agonist

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187773
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187773
• Canonical Smiles: CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3.C(C(C(=O)O)O)C(=O)O
• IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;2-hydroxybutanedioic acid
• InChIKey: QHATUKWEVNMHRY-UHFFFAOYSA-N
• INCHI: 1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
• Isomeric SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3.C(C(C(=O)O)O)C(=O)O
• Alternate CAS: 154323-57-6
• Molecular Weight: 469.55
• Reaxy-Rn: 15435698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15435698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Substituted pyrroles Benzenoids Organosulfonamides Organic sulfonamides Dicarboxylic acids and derivatives Fatty acids and conjugates Sulfonyls Pyrrolidines Heteroaromatic compounds Trialkylamines Secondary alcohols Carboxylic acids Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Tryptamine - 3-alkylindole - Indole - Beta-hydroxy acid - Short-chain hydroxy acid - Aralkylamine - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Fatty acid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrolidine - Pyrrole - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• External Descriptors: malate 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(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 94 mg/mL Water <1 mg/mL Ethanol 53 mg/mL
• Melt Point(°C): 162 °C(dec.)
• Molecular Weight: 469.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 469.188 Da
• Monoisotopic Mass: 469.188 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 611.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3