PF-06747711 - ≥99% , CAS No.1892576-58-7

CAS: 1892576-58-7 Cat. No.: P646837 Molecular Weight: 497.51 PubChem CID: 118977746
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GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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P646837-5mg
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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.

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Literature proof

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

Overview

PF-06747711 is a potent, selective, and orally active retinoic acid receptor-related orphan C2 ( RORC2 , also known as RORγt ) inverse agonist, with an IC 50 of 4.1 nM. Anti-skin inflammatory activity

In Vitro

PF-06747711 (Compound 66) reduces IL-17 production by human Th17 cells with an IC 50 of 9.5 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

PF-06747711 (10, 30, and 100 mg/kg, p.o., daily over 5 days) inhibits ear swelling in a dose-dependent manner in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 8−10 week old female Balb/c mice Dosage: 10, 30, and 100 mg/kg Administration: P.O. daily over 5 days Result: Inhibited ear swelling, and caused a maximum inhibition of 46% at 100 mg/kg.

Form:Solid

IC50& Target:IC50: 4.1 nM (RORC2)

Specifications

Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
PF-06747711 is a potent, selective, and orally active retinoic acid receptor-related orphan C2 ( RORC2 , also known as RORγt ) inverse agonist, with an IC 50 of 4.1 nM. Anti-skin inflammatory activity.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(C)C(=O)N1CCC(CC1)C2=CN(C3=NC=C(C(=C23)C(F)(F)F)NC(=O)C4=CC=CC(=C4)C#N)C
IUPAC Name3-cyano-N-[1-methyl-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide
InChIKeyBIHPJIJLDNUDGH-UHFFFAOYSA-N
INCHI1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)
Isomeric SMILES CC(C)C(=O)N1CCC(CC1)C2=CN(C3=NC=C(C(=C23)C(F)(F)F)NC(=O)C4=CC=CC(=C4)C#N)C
PubChem CID 118977746
Molecular Weight 497.51

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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrrolopyridines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrrolopyridines
Alternative Parents N-acylpiperidines  Benzamides  Benzoyl derivatives  Benzonitriles  Pyridines and derivatives  N-methylpyrroles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Nitriles  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrolopyridine - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Benzoyl - Benzonitrile - Benzenoid - Substituted pyrrole - Pyridine - Piperidine - N-methylpyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
RORC Tchem Nuclear receptor ROR-gamma (2 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
ESRRA Tchem Estrogen-related receptor alpha (573 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
NR1H3 Tchem LXR-alpha (2891 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
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
Associated Targets(non-human)
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
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 41.67 mg/mL (83.76 mM; Need ultrasonic)
Molecular Weight497.500 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass497.204 Da
Monoisotopic Mass497.204 Da
Topological Polar Surface Area91.000 Ų
Heavy Atom Count36
Formal Charge0
Complexity863.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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