PF-06882961 - Moligand™, ≥99% , Agonist of GLP-1 receptor, CAS No.2230198-02-2, Agonist of GLP-1 receptor

CAS: 2230198-02-2 Cat. No.: P414495 Molecular Weight: 555.6 PubChem CID: 134611040

GRADE & PURITY Moligand™, ≥99%

Synonyms

PF-06882961|Danuglipron|2230198-02-2|Danuglipron [USAN]|DN9IUI24GP|(S)-2-((4-(6-((4-cyano-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic acid|2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

PF-06882961 PF-06882961, a non-peptide agonist, activates the canonical G protein signaling activity only in the Glukagon-like peptide-1 (GLP-1) receptor with Trp33 ECD .

Targets

GLP-1 receptor

In vitro

PF-06882961 stimulates cAMP accumulation in CHO cells expressing both the human and monkey GLP-1Rs with comparable EC50 values. In contrast, PF-06882961 does not increase cAMP levels in cells expressing the mouse, rat, or rabbit GLP-1R.

In vivo

PF-06882961 potentiates glucose-stimulated insulin release and reduces food intake in monkeys.

Cell Research(from reference)

Cell lines：HEK293 cells 

Concentrations：1 μM 

Incubation Time：30 minutes 

Specifications

Synonyms

PF-06882961 | Danuglipron | 2230198-02-2 | Danuglipron [USAN] | DN9IUI24GP | (S)-2-((4-(6-((4-cyano-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic acid | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

PF-06882961, a non-peptide agonist, activates the canonical G protein signaling activity only in the Glukagon-like peptide-1 (GLP-1) receptor with Trp33^ECD.

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.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GLP-1 receptor

Purity

≥99%

Product Properties

• ALogP: 1.4

Names and Identifiers

• Pubchem Sid: 504773175
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773175
• Canonical Smiles: C1CN(CCC1C2=NC(=CC=C2)OCC3=C(C=C(C=C3)C#N)F)CC4=NC5=C(N4CC6CCO6)C=C(C=C5)C(=O)O
• IUPAC Name: 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
• InChIKey: HYBAKUMPISVZQP-DEOSSOPVSA-N
• INCHI: 1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1
• Isomeric SMILES: C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F
• Alternate CAS: 2230198-02-2
• PubChem CID: 134611040
• Molecular Weight: 555.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzonitriles Fluorobenzenes Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Trialkylamines Oxetanes Amino acids Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzonitrile - Aralkylamine - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Imidazole - Azole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Oxetane - Amino acid or derivatives - Oxacycle - Azacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Associated Targets(Human)

GLP1R Tclin Glucagon-like peptide 1 receptor (1 Activities)

Discover Target: GLP1R

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (179.98 mM); Ethanol: 100 mg/mL (179.98 mM); Water: Insoluble
• Molecular Weight: 555.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 555.228 Da
• Monoisotopic Mass: 555.228 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 941.000
• 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