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Azt-pmap

CAT: 0013-GTR19203974-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203974-02Size:50 mg
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Description
AZT-PMPA is an aryl phosphate derivative of the nucleoside analogue AZT, functioning as a nucleoside reverse transcriptase inhibitor (NRTI) with demonstrated anti-HIV activity. It is utilized in research for investigating HIV infection mechanisms and antiviral efficacy in both in vitro and in vivo experimental models.
CAS Number
142629-81-0
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
O=C1N ([C@@H]2O[C@H] (COP (OC3=CC=CC=C3) (N[C@H] (C (OC) =O) C) =O) [C@@H] (N=[N+]=[N-]) C2) C=C (C) C (=O) N1
Molecular Formula
C20H25N6O8P
Molecular Weight
508.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Azt-pmap

structure given in first source; active against HIV in JM cells, which are not very responsive to AZT

CAS Number142629-81-0
PubChem CID5486756
IUPAC Namemethyl (2S)-2-[[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular FormulaC20H25N6O8P
Molecular Weight508.4
XLogP1.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity948
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C20H25N6O8P/c1-12-10-26(20(29)22-18(12)27)17-9-15(23-25-21)16(33-17)11-32-35(30,24-13(2)19(28)31-3)34-14-7-5-4-6-8-14/h4-8,10,13,15-17H,9,11H2,1-3H3,(H,24,30)(H,22,27,29)/t13-,15?,16?,17?,35?/m0/s1
InChIKey
CNUMCGXPKWOQFJ-SGTLBKTKSA-N
Chemical Structure
2D Structure
2D structure of Azt-pmap
CAS: 142629-81-0
CID: 5486756
Formula: C20H25N6O8P
MW: 508.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass508.14714877
Monoisotopic Mass508.14714877
Topological Polar Surface Area147 Ų
Heavy Atom Count35
Formal Charge0
Complexity948
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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