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GLP-1R agonist 16

CAT: 0931-T74610-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74610-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2763329-13-9
Target
Glucagon Receptor, Others
Related Pathways
Others, GPCR/G Protein
Bioactivity
Compound 115a, a GLP-1R agonist, effectively activates the GLP-1 receptor with an EC50 of 0.15 nM [1].
Smiles
CCP(=O)(CC)c1ccc(cc1NC)-n1ccn(-c2c(nn3CCN(C(C)c23)C(=O)c2cc3cc(ccc3n2C2(CC2C)c2noc(=O)[nH]2)N2CCOC(C)(C)C2)-c2cc(C)c(F)c(C)c2)c1=O
Molecular Formula
C50H58FN10O6P
Molecular Weight
945.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GLP-1R agonist 16
CAS Number2763329-13-9
PubChem CID164517052
IUPAC Name3-[1-[2-[3-[3-[4-diethylphosphoryl-3-(methylamino)phenyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-5-(2,2-dimethylmorpholin-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
Molecular FormulaC50H58FN10O6P
Molecular Weight945.0
XLogP6
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count68
Formal Charge0
Complexity2040
SMILES
CCP(=O)(CC)C1=C(C=C(C=C1)N2C=CN(C2=O)C3=C4C(N(CCN4N=C3C5=CC(=C(C(=C5)C)F)C)C(=O)C6=CC7=C(N6C8(CC8C)C9=NOC(=O)N9)C=CC(=C7)N1CCOC(C1)(C)C)C)NC
InChI
InChI=1S/C50H58FN10O6P/c1-10-68(65,11-2)40-15-13-36(26-37(40)52-9)58-16-17-59(48(58)64)44-42(34-22-29(3)41(51)30(4)23-34)54-60-19-18-57(32(6)43(44)60)45(62)39-25-33-24-35(56-20-21-66-49(7,8)28-56)12-14-38(33)61(39)50(27-31(50)5)46-53-47(63)67-55-46/h12-17,22-26,31-32,52H,10-11,18-21,27-28H2,1-9H3,(H,53,55,63)
InChIKey
IFHOZSCNNNINAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GLP-1R agonist 16
CAS: 2763329-13-9
CID: 164517052
Formula: C50H58FN10O6P
MW: 945.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight945.0
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass944.42624477
Monoisotopic Mass944.42624477
Topological Polar Surface Area159 Ų
Heavy Atom Count68
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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