PF-06305591 - ≥99% , CAS No.1449473-97-5

CAS: 1449473-97-5 Cat. No.: P649663 Peso molecular: 274.36 PubChem CID: 71666749
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
HY-114301 | PF-06305591 | (.ALPHA.R,.BETA.S)-.BETA.-AMINO-6-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-1H-BENZIMIDAZOLE-2-PROPANAMIDE | 1H-Benzimidazole-2-propanamide, .,beta-amino-6-(1,1-dimethylethyl)-alpha-methyl-, (alphaR,betaS)- | 1H-BENZIMIDAZOLE-2-PROPANAM
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
P649663-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
260,90US$
10mg
P649663-10mg
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440,90US$
25mg
P649663-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
900,90US$
50mg
P649663-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.500,90US$
100mg
P649663-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
2.560,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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

PF-06305591 is a potent and highly selective voltage gated sodium channel NaV1.8 blocker, with an IC 50 of 15 nM. An excellent preclinical in vitro ADME and safety profile

In Vitro

PF-06305591 (compound 9) has a highly attractive profile with respect to NaV selectivity, hERG activity, passive permeability and in vitro metabolic stability. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

PF-06305591 (compound 9) has good rat bioavailability. PF-06305591 offers the possibility of investigating higher IC 50 multiples of Nav1.8 blockade in the clinic, and therefore a more thorough evaluation of the role of NaV1.8 in the treatment of pain . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Na v 1.8 15 nM (IC 50 )

Specifications

Sinónimos
HY-114301 | PF-06305591 | (.ALPHA.R, .BETA.S)-.BETA.-AMINO-6-(1, 1-DIMETHYLETHYL)-.ALPHA.-METHYL-1H-BENZIMIDAZOLE-2-PROPANAMIDE | 1H-Benzimidazole-2-propanamide, ., beta-amino-6-(1, 1-dimethylethyl)-alpha-methyl-, (alphaR, betaS)- | 1H-BENZIMIDAZOLE-2-PROPANAM
Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
PF-06305591 is a potent and highly selective voltage gated sodium channel NaV1.8 blocker, with an IC 50 of 15 nM. An excellent preclinical in vitro ADME and safety profile.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasCC(C(C1=NC2=C(N1)C=C(C=C2)C(C)(C)C)N)C(=O)N
IUPAC Name(2R,3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylpropanamide
InChIKeyAPWZIFIAVVFPNT-PELKAZGASA-N
INCHI1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)/t8-,12+/m1/s1
Isómeros SMILES C[C@H]([C@@H](C1=NC2=C(N1)C=C(C=C2)C(C)(C)C)N)C(=O)N
CAS alternativo 1449473-97-5
PubChem CID 71666749
Peso molecular 274.36

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
Direct ParentBeta amino acids and derivatives
Alternative Parents Benzimidazoles  Aralkylamines  Fatty amides  Benzenoids  Imidazoles  Heteroaromatic compounds  Primary carboxylic acid amides  Azacyclic compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Beta amino acid or derivatives - Benzimidazole - Aralkylamine - Fatty amide - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
SCN10A Tclin Sodium channel protein type 10 subunit alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SCN1A Tclin Sodium channel protein type I alpha subunit (483 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNA5 Tclin Voltage-gated potassium channel subunit Kv1.5 (1353 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (20 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNA2 Tclin Voltage-gated potassium channel subunit Kv1.2 (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNA1 Tclin Voltage-gated potassium channel subunit Kv1.1 (248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1H Tclin Voltage-gated T-type calcium channel (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
KCNQ1 Voltage-gated potassium channel subunit Kv7.1 (54 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn2a Sodium channel protein type II alpha subunit (191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn3a Sodium channel protein type III alpha subunit (24 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn9a Sodium channel protein type IX alpha subunit (69 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn8a Sodium channel protein type VIII alpha subunit (53 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn10a Sodium channel protein type X alpha subunit (425 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn4a Sodium channel protein type IV alpha subunit (55 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cacna1c Voltage-gated L-type calcium channel (1164 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 : 50 mg/mL (182.24 mM; Need ultrasonic)
Peso molecular274.360 g/mol
XLogP31.500
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass274.179 Da
Monoisotopic Mass274.179 Da
Topological Polar Surface Area97.800 Ų
Heavy Atom Count20
Formal Charge0
Complexity365.000
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 Count1
Calculadoras de soluciones
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