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AZD1979

CAT: 0931-T14372-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T14372-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1254035-84-1
Target
GPCR, Melanin-concentrating Hormone Receptor (MCHR)
Related Pathways
GPCR/G Protein, Endocrinology/Hormones
Purity
0.9972
Bioactivity
AZD1979 is a highly potent MCHR1 (Melanin-concentrating hormone receptor 1) antagonist with an IC50 of 12 nM, exhibiting improved central nervous system (CNS) exposure and enhanced insulin sensitivity in steady-state model assessments, making it suitable for the treatment of obesity.
Smiles
O=C(C1=NN=C(O1)C=2C=CC(OC)=CC2)N3CC(OC4=CC=C(C=C4)CN5CC6(COC6)C5)C3
Molecular Formula
C25H26N4O5
Molecular Weight
462.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)(3-(4-(2-oxa-6-azaspiro(3.3)hept-6-ylmethyl)phenoxy)-1-azetidinyl)methanone

AZD1979 is a carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist. It has a role as a melanin-concentrating hormone receptor antagonist. It is an aromatic ether, an azaspiro compound, a carboxamide, an oxaspiro compound, a member of oxetanes, an oxadiazole and a N-acylazetidine. It is a conjugate base of an AZD1979(1+).

CAS Number1254035-84-1
PubChem CID49801838
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]methanone
Molecular FormulaC25H26N4O5
Molecular Weight462.5
XLogP2
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity706
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6
InChI
InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3
InChIKey
BKKPIQPFRAPEAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)(3-(4-(2-oxa-6-azaspiro(3.3)hept-6-ylmethyl)phenoxy)-1-azetidinyl)methanone
CAS: 1254035-84-1
CID: 49801838
Formula: C25H26N4O5
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass462.19031994
Monoisotopic Mass462.19031994
Topological Polar Surface Area90.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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