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DDPO

CAT: 0013-GTR19199328-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199328-02Size:50 mg
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Description
DDPO is a small molecule inhibitor of folypolyglutamate synthetase (FPGS) . This compound is used in biochemical research to study folate metabolism and has been applied in both in vitro and in vivo models to investigate antifolate mechanisms and potential therapeutic strategies.
CAS Number
118675-83-5
Smiles
O=C1C=2C (=CC=C (CNC3=CC=C (C (N[C@@H] (CCCN) C (O) =O) =O) C=C3) C2) NC (N) =N1
Molecular Formula
C21H24N6O4
Molecular Weight
424.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,8-Dideazapteroylornithine

folypolyglutamate synthetase antagonist

CAS Number118675-83-5
PubChem CID135600315
IUPAC Name(2S)-5-amino-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanoic acid
Molecular FormulaC21H24N6O4
Molecular Weight424.5
XLogP-2
Topological Polar Surface Area172
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity691
SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCCN)C(=O)O)NCC2=CC3=C(C=C2)N=C(NC3=O)N
InChI
InChI=1S/C21H24N6O4/c22-9-1-2-17(20(30)31)25-18(28)13-4-6-14(7-5-13)24-11-12-3-8-16-15(10-12)19(29)27-21(23)26-16/h3-8,10,17,24H,1-2,9,11,22H2,(H,25,28)(H,30,31)(H3,23,26,27,29)/t17-/m0/s1
InChIKey
XXHSFOMKJAVUID-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of 5,8-Dideazapteroylornithine
CAS: 118675-83-5
CID: 135600315
Formula: C21H24N6O4
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP3-2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass424.18590327
Monoisotopic Mass424.18590327
Topological Polar Surface Area172 Ų
Heavy Atom Count31
Formal Charge0
Complexity691
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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