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DDO-3055

CAT: 0931-T205089-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T205089-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1842340-93-5
Target
HIF/HIF Prolyl-Hydroxylase
Related Pathways
Metabolism, Chromatin/Epigenetic
Bioactivity
DDO-3055 is an orally active PHD2 inhibitor utilized in studies related to anemia associated with chronic kidney disease.
Smiles
O=C(O)CNC(=O)C1=NC=C(C#CCOC2=CC=C(Cl)C=C2)C=C1O
Molecular Formula
C17H13ClN2O5
Molecular Weight
360.749
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ddo-3055
CAS Number1842340-93-5
PubChem CID129027150
IUPAC Name2-[[5-[3-(4-chlorophenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
Molecular FormulaC17H13ClN2O5
Molecular Weight360.7
XLogP2.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity536
SMILES
C1=CC(=CC=C1OCC#CC2=CC(=C(N=C2)C(=O)NCC(=O)O)O)Cl
InChI
InChI=1S/C17H13ClN2O5/c18-12-3-5-13(6-4-12)25-7-1-2-11-8-14(21)16(19-9-11)17(24)20-10-15(22)23/h3-6,8-9,21H,7,10H2,(H,20,24)(H,22,23)
InChIKey
AIKDJELJHUPYNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ddo-3055
CAS: 1842340-93-5
CID: 129027150
Formula: C17H13ClN2O5
MW: 360.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.7
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass360.0512992
Monoisotopic Mass360.0512992
Topological Polar Surface Area109 Ų
Heavy Atom Count25
Formal Charge0
Complexity536
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