Raxatrigine hydrochloride - ≥99% , CAS No.934240-31-0

CAS: 934240-31-0 Cat. No.: R646891 Peso molecular: 350.8 Número EC: 827-335-2 PubChem CID: 16046067
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
CNV1014802 hydrochloride | CNV-1014802 hydrochloride | (2S,5R)-5-(4-(2-fluorobenzyloxy)phenyl)pyrrolidine-2-carboxamide hydrochloride | DTXSID80458106 | (5R)-5-(4-[2-fluorobenzyloxy]phenyl)-L-prolinamide hydrochloride | (5R)-5-(4-{[(2-Fluorophenyl)methyl]
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Size
Estado
Price
Qty
2mg
R646891-2mg
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200,90US$
5mg
R646891-5mg
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300,90US$
10mg
R646891-10mg
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500,90US$
50mg
R646891-50mg
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1.700,90US$
100mg
R646891-100mg
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2.700,90US$
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Raxatrigine hydrochloride (GSK-1014802 hydrochloride) is a novel small molecule state-dependent sodium channel blocker; Nav1.7 sodium channel inhibitor .

In Vitro

Like lamotrigine, both GSK2 and GSK3 were able to prevent the deficit in reversal learning produced by PCP, thus confirming their potential in the treatment of cognitive symptoms of schizophrenia. However, higher doses than those required for anticonvulsant efficacy of the drugs were needed for activity in the reversal-learning model, suggesting a lower therapeutic window relative to mechanism-dependent central side effects for this indication. Raxatrigine (GSK-1014802) received orphan-drug designation from the US Food and Drug Administration in July 2013. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Sodium channel blocker

Specifications

Sinónimos
CNV1014802 hydrochloride | CNV-1014802 hydrochloride | (2S, 5R)-5-(4-(2-fluorobenzyloxy)phenyl)pyrrolidine-2-carboxamide hydrochloride | DTXSID80458106 | (5R)-5-(4-[2-fluorobenzyloxy]phenyl)-L-prolinamide hydrochloride | (5R)-5-(4-{[(2-Fluorophenyl)methyl]
Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
Raxatrigine hydrochloride (GSK-1014802 hydrochloride) is a novel small molecule state-dependent sodium channel blocker; Nav1.7 sodium channel inhibitor .
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Desiccated
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasC1CC(NC1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N.Cl
IUPAC Name(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide;hydrochloride
InChIKeyHEPUBAGOKRIZEO-PPPUBMIESA-N
INCHI1S/C18H19FN2O2.ClH/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22;/h1-8,16-17,21H,9-11H2,(H2,20,22);1H/t16-,17+;/m1./s1
Isómeros SMILES C1C[C@H](N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N.Cl
PubChem CID 16046067
Peso molecular 350.8

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentProline and derivatives
Alternative Parents Alpha amino acid amides  Phenylpyrrolidines  Pyrrolidinecarboxamides  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Aralkylamines  Fluorobenzenes  Aryl fluorides  Pyrroles  Primary carboxylic acid amides  Azacyclic compounds  Dialkylamines  Organofluorides  Hydrocarbon derivatives  Hydrochlorides  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Proline or derivatives - Alpha-amino acid amide - 2-phenylpyrrolidine - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Primary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Hydrochloride - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Scn3a Sodium channel protein type III alpha subunit (24 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc22a6 Solute carrier family 22 member 6 (141 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : ≥ 31 mg/mL (88.36 mM) H2O : 14.29 mg/mL (40.73 mM; Need ultrasonic)
Peso molecular350.800 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass350.12 Da
Monoisotopic Mass350.12 Da
Topological Polar Surface Area64.400 Ų
Heavy Atom Count24
Formal Charge0
Complexity398.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluciones
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