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ECC5004 (AZD5004)

CAT: 1568-C01894-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C01894-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2758659-09-3
Synonyms
AZD5004, GLP-1 agonist (Eccogene)
Target
Others
Applications
Others
Molecular Formula
C48H46F2N10O5
Additionnal Information
ECC5004 (AZD5004, GLP-1 agonist (Eccogene) ) is a small molecule GLP-1 receptor agonist (GLP-1RA) used to treat digestive system diseases and endocrine and metabolic diseases. ECC5004 has the potential to be used to treat obesity, type 2 diabetes and metabolic dysfunction-associated steatohepatitis (MASH) disease.

Chemical Information

3-(1-(2-((S)-2-(3-Cyclopropyl-4-fluorophenyl)-3-(3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carbonyl)-7-(2,2-dimethyltetrahydro-2H-pyran-4-yl)indolizin-3-yl)cyclopropyl)-1,2,4-oxadiazol-5(4H)-one
CAS Number2758659-09-3
PubChem CID172653064
IUPAC Name3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
Molecular FormulaC48H46F2N10O5
Molecular Weight880.9
XLogP6.5
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count65
Formal Charge0
Complexity1970
SMILES
C[C@H]1C2=C(N(N=C2CCN1C(=O)C3=C(N4C=CC(=CC4=C3)C5CCOC(C5)(C)C)C6(CC6)C7=NOC(=O)N7)C8=CC(=C(C=C8)F)C9CC9)N1C=CN(C1=O)C1=C(C2=C(C=C1)N(N=C2)C)F
InChI
InChI=1S/C48H46F2N10O5/c1-26-39-36(53-60(30-7-8-35(49)32(22-30)27-5-6-27)42(39)59-19-18-58(46(59)63)38-10-9-37-34(40(38)50)25-51-55(37)4)12-17-56(26)43(61)33-23-31-21-28(29-13-20-64-47(2,3)24-29)11-16-57(31)41(33)48(14-15-48)44-52-45(62)65-54-44/h7-11,16,18-19,21-23,25-27,29H,5-6,12-15,17,20,24H2,1-4H3,(H,52,54,62)/t26-,29?/m0/s1
InChIKey
JMKBTILBGROESC-QUWDGAPNSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-(2-((S)-2-(3-Cyclopropyl-4-fluorophenyl)-3-(3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carbonyl)-7-(2,2-dimethyltetrahydro-2H-pyran-4-yl)indolizin-3-yl)cyclopropyl)-1,2,4-oxadiazol-5(4H)-one
CAS: 2758659-09-3
CID: 172653064
Formula: C48H46F2N10O5
MW: 880.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight880.9
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass880.36207093
Monoisotopic Mass880.36207093
Topological Polar Surface Area144 Ų
Heavy Atom Count65
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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