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AZD5248

CAT: 0013-GTR19208266Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208266Size:1 mg
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Description
AZD-5248 is a first-in-class, orally bioavailable small molecule that selectively inhibits dipeptidyl peptidase 1 (DPP1) . This inhibitor is used in research to investigate neutrophil serine protease activation and has been applied in both in vitro biochemical assays and in vivo models of inflammatory diseases.
CAS Number
1254318-44-9
Field of Research
Protein Biochemistry
Smiles
C ([C@H] (NC (=O) C1 (N) CCOCC1) C#N) C2=CC=C (C=C2) C3=CC=C (C#N) C=C3
Molecular Formula
C22H22N4O2
Molecular Weight
374.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Amino-N-[(1S)-1-cyano-2-(4'-cyano[1,1'-biphenyl]-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide
CAS Number1254318-44-9
PubChem CID49783666
IUPAC Name4-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]oxane-4-carboxamide
Molecular FormulaC22H22N4O2
Molecular Weight374.4
XLogP2
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity623
SMILES
C1COCCC1(C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C#N)N
InChI
InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
InChIKey
NNUFRZJZOXVZIT-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-N-[(1S)-1-cyano-2-(4'-cyano[1,1'-biphenyl]-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide
CAS: 1254318-44-9
CID: 49783666
Formula: C22H22N4O2
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass374.17427596
Monoisotopic Mass374.17427596
Topological Polar Surface Area112 Ų
Heavy Atom Count28
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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