Frovatriptan - Moligand™, ≥97% , Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor, CAS No.158747-02-5, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor

CAS: 158747-02-5 Cat. No.: F610405 Summenformel: C₁₄H₁₇N₃O Molekulargewicht: 243.30

GRADE & PURITY Moligand™, ≥97%

Synonyms

(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboximidic acid | GTPL7191 | FROVATRIPTAN [HSDB] | FROVATRIPTAN [MART.] | FROVATRIPTAN [MI] | SB 209509 | FROVATRIPTAN [VANDF] | Miguard | FROVATRIPTAN (MART.) | R-Frovatriptan | (R)-5,6,7,8-Tetrahy

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Frovatriptan is a highly potent agonist of the 5-HT 1B/1D receptors, exhibiting the highest potency among triptan compounds. It possesses prominent cerebroselectivity. Frovatriptan demonstrates efficacy and even superiority in certain endpoints

Specifications

Synonyme

(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboximidic acid | GTPL7191 | FROVATRIPTAN [HSDB] | FROVATRIPTAN [MART.] | FROVATRIPTAN [MI] | SB 209509 | FROVATRIPTAN [VANDF] | Miguard | FROVATRIPTAN (MART.) | R-Frovatriptan | (R)-5,6,7,8-Tetrahy

Spezifikationen & Reinheit

Moligand™, ≥97%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N
• IUPAC Name: (6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• InChIKey: XPSQPHWEGNHMSK-SECBINFHSA-N
• INCHI: 1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1
• Isomere SMILES: CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N
• Alternative CAS-Nummer: 158747-02-5；158930-17-7； 158930-09-7；
• MeSH-Eintrag: (+)-(R)-5,6,7,8-tetrahydro-6-(methylamino)carbazole-3-carboxamide succinate (1:1), monohydrate;3-methylamino-6-carboxamido-1,2,3,4-tetrahydrocarbazole;Allegro;Frova;frovatriptan;frovatriptan succinate;Frovelan;SB 209509;VML-251;VML251
• Molekulargewicht: 243.30
• Reaxy-Rn: 14054520
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14054520&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indolecarboxamides and derivatives 3-alkylindoles Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indolecarboxamide derivative - Indolecarboxylic acid derivative - 3-alkylindole - Indole - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side 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

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HTR1B Tclin 5-hydroxytryptamine receptor 1B (2 Activities)

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

HTR1D Tclin 5-hydroxytryptamine receptor 1D (2 Activities)

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

HTR1A Tclin 5-hydroxytryptamine receptor 1A (2 Activities)

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

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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

HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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Homo sapiens (32628 Activities)

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POU2F2 Tbio POU domain, class 2, transcription factor 2 (42 Activities)

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POU2F1 Tbio POU domain, class 2, transcription factor 1 (93 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Plasma (328 Activities)

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Slc22a3 Solute carrier family 22 member 3 (35 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 243.300 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.137 Da
• Monoisotopic Mass: 243.137 Da
• Topological Polar Surface Area: 70.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 333.000
• 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