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Daprodustat (GSK1278863)

CAT: 1568-C13236-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C13236-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
960539-70-2
SKU
C13236-5mg
Target
HIF
Applications
Angiogenesis
Smiles
C1CCC (CC1) N2C (=O) C (C (=O) N (C2=O) C3CCCCC3) C (=O) NCC (=O) O
Molecular Formula
C19H27N3O6
Additionnal Information
Daprodustat (GSK1278863) is an orally administered hypoxia-inducible factor-prolyl hydroxylase (HIF-PH) inhibitor. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

Daprodustat

Daprodustat is a member of the class of barbiturates that is barbituric acid substituted by cyclohexyl groups at positions 1 and 3, and by a (carboxymethyl)aminocarbonyl group at position 5. It is an inhibitor of hypoxia-inducible factor prolyl hydroxylase developed by GlaxoSmithKline for the treatment of anaemia in patients with chronic kidney disease. It has a role as an EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor, an antiviral agent and an anti-anaemic agent. It is a secondary carboxamide, a N-acylglycine, a member of barbiturates and an oxo monocarboxylic acid.

CAS Number960539-70-2
PubChem CID91617630
IUPAC Name2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
Molecular FormulaC19H27N3O6
Molecular Weight393.4
XLogP2.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity627
SMILES
C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O
InChI
InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChIKey
RUEYEZADQJCKGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Daprodustat
CAS: 960539-70-2
CID: 91617630
Formula: C19H27N3O6
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass393.18998559
Monoisotopic Mass393.18998559
Topological Polar Surface Area124 Ų
Heavy Atom Count28
Formal Charge0
Complexity627
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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