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GLP-1R agonist 34

CAT: 0013-GTR19264121-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264121-01Size:50 mg
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Description
GLP-1R agonist 34 (Compound 1) is an orally active small molecule agonist of the glucagon-like peptide-1 receptor (GLP-1R) . It enhances insulin secretion, suppresses glucagon release, and slows gastric emptying, thereby effectively reducing blood glucose levels. GLP-1R agonist 34 holds potential for research into metabolic disorders such as type 2 diabetes, obesity, and non-alcoholic steatohepatitis (NASH) .
CAS Number
3074089-99-6
Field of Research
Pharmacology & Drug Discovery
Smiles
C[C@@H]1[C@] (C1) (N2C=3C (C=C2C (=O) N4[C@@H] (C) C5=C (N (N=C5CC4) C6=CC (C) =C (F) C (C) =C6) N7C (=O) N (C=C7) C=8C (F) =C9C (=CC8) N (N=C9) C%10CC%10) =CC (=CC3) [C@@H]%11CC (C) (C) OCC%11) C%12=NOC (=O) N%12
Molecular Formula
C50H50F2N10O5
Molecular Weight
908.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((1S,2S)-1-(2-((S)-3-(3-(1-cyclopropyl-4-fluoro-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carbonyl)-5-((S)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-1H-indol-1-yl)-2-methylcyclopropyl)-1,2,4-oxadiazol-5(4H)-one
CAS Number3074089-99-6
PubChem CID176644981
IUPAC Name3-[(1S,2S)-1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-[(4S)-2,2-dimethyloxan-4-yl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
Molecular FormulaC50H50F2N10O5
Molecular Weight909.0
XLogP7.3
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count67
Formal Charge0
Complexity2030
SMILES
C[C@H]1C[C@]1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)[C@H]5CCOC(C5)(C)C)C=C3C(=O)N6CCC7=NN(C(=C7[C@@H]6C)N8C=CN(C8=O)C9=C(C1=C(C=C9)N(N=C1)C1CC1)F)C1=CC(=C(C(=C1)C)F)C
InChI
InChI=1S/C50H50F2N10O5/c1-26-19-34(20-27(2)42(26)51)62-44(59-17-16-58(48(59)65)39-12-11-38-35(43(39)52)25-53-61(38)33-8-9-33)41-29(4)57(15-13-36(41)55-62)45(63)40-22-32-21-30(31-14-18-66-49(5,6)24-31)7-10-37(32)60(40)50(23-28(50)3)46-54-47(64)67-56-46/h7,10-12,16-17,19-22,25,28-29,31,33H,8-9,13-15,18,23-24H2,1-6H3,(H,54,56,64)/t28-,29-,31-,50-/m0/s1
InChIKey
CROLKJJVEFZMAI-MZXNQBJUSA-N
Chemical Structure
2D Structure
2D structure of 3-((1S,2S)-1-(2-((S)-3-(3-(1-cyclopropyl-4-fluoro-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carbonyl)-5-((S)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-1H-indol-1-yl)-2-methylcyclopropyl)-1,2,4-oxadiazol-5(4H)-one
CAS: 3074089-99-6
CID: 176644981
Formula: C50H50F2N10O5
MW: 909.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight909.0
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass908.39337106
Monoisotopic Mass908.39337106
Topological Polar Surface Area144 Ų
Heavy Atom Count67
Formal Charge0
Complexity2030
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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