PF-4693627 , CAS No.1312815-93-2

CAS: 1312815-93-2 Cat. No.: P650248 Peso molecular: 502.43 PubChem CID: 53252516
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Storage
Store at -20°C
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Ice chest + Ice pads
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10mg
P650248-10mg
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1.640,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Descripción general

PF-4693627 is a potent, selective and orally bioavailable microsomal prostaglandin E synthase-1 ( m PGES-1 ) inhibitor ( IC 50 =3 nM) for the treatment of inflammation caused by osteoarthritis (OA) and rheumatoid arthritis (RA)

In Vitro

PF-4693627 also inhibits mPGES-1 with IC 50 s of 180 and 6 nM in HWB-1483 and human fetal fibroblast, respectively. PF-4693627 shows high activity in lipopolysaccharide (LPS) stimulated human whole blood (HWB) cell assay (IC 50 =109 nM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

PF-4693627 (10 mg/kg; orally) inhibits 63% of PGE2 production relative to vehicle control in Guinea pig carrageenan stimulated air pouch model . PF-4693627 (1.0 mg/kg; i.v.) shows good bioavailability (59%) and modest half life (t 1/2 =3.7 h) in Sprague-Dawley rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Guinea pig with carrageenan stimulated air pouch inflammation model Dosage: 10 mg/kg Administration: Administered orally Result: 63% PGE2 inhibition. Animal Model: Sprague-Dawley rats . Dosage: 1.0 mg/kg (Pharmacokinetic Analysis) Administration: Administered i.v. Result: Clearance (CL), volume of distribution (Vd ss ), t 1/2 , mean residence time (MRT) and bioavailability (F) is 12 mL/min/kg, 3.0 L/kg, 3.7 h, 4.42 h, 59%, respectively.

Form:Solid

IC50& Target:IC50: 3 nM (mPGES-1)

Specifications

Mecanismos bioquímicos y fisiológicos
PF-4693627 is a potent, selective and orally bioavailable microsomal prostaglandin E synthase-1 ( m PGES-1 ) inhibitor ( IC 50 =3 nM) for the treatment of inflammation caused by osteoarthritis (OA) and rheumatoid arthritis (RA).
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
Nombres e identificadores
Sonrisas canónicasC1CC(CC(C1)NC(=O)C2CCN(CC2)C3=NC4=C(O3)C=C(C(=C4)Cl)C5=CC=C(C=C5)Cl)CO
IUPAC Name1-[5-chloro-6-(4-chlorophenyl)-1,3-benzoxazol-2-yl]-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
InChIKeyCPDNPVKDQXLYHO-JXFKEZNVSA-N
INCHI1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1
Isómeros SMILES C1C[C@@H](C[C@H](C1)NC(=O)C2CCN(CC2)C3=NC4=C(O3)C=C(C(=C4)Cl)C5=CC=C(C=C5)Cl)CO
PubChem CID 53252516
Peso molecular 502.43

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Chlorinated biphenyls
Direct ParentPolychlorinated biphenyls
Alternative Parents Piperidinecarboxamides  Benzoxazoles  Dialkylarylamines  Chlorobenzenes  Aryl chlorides  Oxazoles  Heteroaromatic compounds  Secondary carboxylic acid amides  Oxacyclic compounds  Azacyclic compounds  Primary alcohols  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Polychlorinated biphenyl - Benzoxazole - Piperidinecarboxamide - Dialkylarylamine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Oxazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PTGES Tchem Prostaglandin E synthase (8 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
PTGES Prostaglandin E synthase (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 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 : 100 mg/mL (199.03 mM; Need ultrasonic)
Peso molecular502.400 g/mol
XLogP35.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass501.159 Da
Monoisotopic Mass501.159 Da
Topological Polar Surface Area78.600 Ų
Heavy Atom Count34
Formal Charge0
Complexity684.000
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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