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Danuglipron (PF-06882961)

CAT: 1568-C14502-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14502-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230198-02-2
Target
Glucagon Receptor
Applications
GPCR & G Protein
Smiles
OC (=O) C1=CC=C2N=C (CN3CCC (CC3) C4=NC (=CC=C4) OCC5=C (F) C=C (C=C5) C#N) [N] (CC6CCO6) C2=C1
Molecular Formula
C31H30FN5O4
Additionnal Information
Danuglipron (PF-06882961), a non-peptide agonist, activates the canonical G protein signaling activity only in the Glucagon-like peptide-1 (GLP-1) receptor with Trp33ECD.
Storage Conditions
3 years -20°C powder

Chemical Information

2-((4-(6-((4-Cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2S)-2-oxetanylmethyl)-1H-benzimidazole-6-carboxylic acid

Danuglipron is a benzimidazolecarboxylic acid that is 1H-benzimidazole substituted by (2S)-oxetan-2-ylmethyl, (4-{6-[(4-cyano-2-fluorobenzyl)oxy]pyridin-2-yl}piperidin-1-yl)methyl, and carboxy groups at positions 1, 2, and 6, respectively. It is a glucagon-like peptide-1 receptor agonist in development for the treatment of type 2 diabetes and obesity. It has a role as a hypoglycemic agent, a glucagon-like peptide-1 receptor agonist and an anti-obesity agent. It is a nitrile, a member of piperidines, a member of pyridines, an aromatic ether, a benzimidazolecarboxylic acid, a member of oxetanes and a member of monofluorobenzenes.

CAS Number2230198-02-2
PubChem CID134611040
IUPAC Name2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular FormulaC31H30FN5O4
Molecular Weight555.6
XLogP1.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity941
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
InChI
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
InChIKey
HYBAKUMPISVZQP-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-(6-((4-Cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2S)-2-oxetanylmethyl)-1H-benzimidazole-6-carboxylic acid
CAS: 2230198-02-2
CID: 134611040
Formula: C31H30FN5O4
MW: 555.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.6
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass555.22818262
Monoisotopic Mass555.22818262
Topological Polar Surface Area114 Ų
Heavy Atom Count41
Formal Charge0
Complexity941
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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