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APX001

CAT: 0013-GTR19200913-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200913-02Size:50 mg
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Description
APX001 is a first-in-class prodrug that is converted to its active form, APX-001A, a potent inhibitor of the fungal enzyme Gwt1. It is used in antifungal research, demonstrating efficacy in both in vitro assays and in vivo models against invasive fungal pathogens like Candida and Aspergillus.
CAS Number
1169701-00-1
Field of Research
Infectious Disease & Virology
Smiles
N=C1C (C2=CC (CC3=CC=C (COC4=CC=CC=N4) C=C3) =NO2) =CC=CN1COP (=O) (O) O
Molecular Formula
C22H21N4O6P
Molecular Weight
468.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fosmanogepix (tautomerism)

Fosmanogepix is under investigation in clinical trial NCT03604705 (An Efficacy and Safety Study of APX001 in Non-Neutropenic Patients With Candidemia).

CAS Number1169701-00-1
PubChem CID53379621
IUPAC Name[2-imino-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]-1-pyridinyl]methyl dihydrogen phosphate
Molecular FormulaC22H21N4O6P
Molecular Weight468.4
XLogP1.6
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity779
SMILES
C1=CC=NC(=C1)OCC2=CC=C(C=C2)CC3=NOC(=C3)C4=CC=CN(C4=N)COP(=O)(O)O
InChI
InChI=1S/C22H21N4O6P/c23-22-19(4-3-11-26(22)15-31-33(27,28)29)20-13-18(25-32-20)12-16-6-8-17(9-7-16)14-30-21-5-1-2-10-24-21/h1-11,13,23H,12,14-15H2,(H2,27,28,29)
InChIKey
JQONJQKKVAHONF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fosmanogepix (tautomerism)
CAS: 1169701-00-1
CID: 53379621
Formula: C22H21N4O6P
MW: 468.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass468.11987140
Monoisotopic Mass468.11987140
Topological Polar Surface Area142 Ų
Heavy Atom Count33
Formal Charge0
Complexity779
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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