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 Fórmula: C₁₄H₁₇N₃O Peso molecular: 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

Visão geral

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

Sinónimos

(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

Especificações e pureza

Moligand™, ≥97%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

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

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N

CAS alternativo

158747-02-5；158930-17-7； 158930-09-7；

Termos de entrada MeSH

(+)-(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

Peso molecular

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
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Discover Target: HTR1B

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

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

Discover Target: HTR1D

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

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

Discover Target: HTR1A

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

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

Discover Target: HTR1A

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

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

Discover Target: HTR1D

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

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

Discover Target: HTR1B

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

Homo sapiens (32628 Activities)

Explore this target

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

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

Discover Target: POU2F2

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

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

Discover Target: POU2F1

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasma (328 Activities)

Explore this target

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

Slc22a3 Solute carrier family 22 member 3 (35 Activities)

Discover Target: Slc22a3

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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