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PF-06882961 Tris

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Description
PF-06882961 Tris is an orally bioavailable glucagon-like peptide-1 receptor (GLP-1R) agonist.
CAS Number
2230198-03-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
676.7
Molecular Formula
C35H41FN6O7
Notes
Research use only, not for human use.
Receptor
GLP-1

Chemical Information

Danuglipron Tromethamine
CAS Number2230198-03-3
PubChem CID154702463
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Molecular FormulaC35H41FN6O7
Molecular Weight676.7
Topological Polar Surface Area200
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count49
Formal Charge0
Complexity995
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.C(C(CO)(CO)N)O
InChI
InChI=1S/C31H30FN5O4.C4H11NO3/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;5-4(1-6,2-7)3-8/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39);6-8H,1-3,5H2/t24-;/m0./s1
InChIKey
JEJPAGACGZQFHN-JIDHJSLPSA-N
Chemical Structure
2D Structure
2D structure of Danuglipron Tromethamine
CAS: 2230198-03-3
CID: 154702463
Formula: C35H41FN6O7
MW: 676.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight676.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass676.30207583
Monoisotopic Mass676.30207583
Topological Polar Surface Area200 Ų
Heavy Atom Count49
Formal Charge0
Complexity995
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes