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Peldesine

CAT: 0127-BUP12520-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12520-02Size:10 mg
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CAS Number
133432-71-0
Synonyms
BCX 34
Purity
=98%
Smiles
C(C=1C2=C(NC1)C(=O)N=C(N)N2)C=3C=CC=NC3

Chemical Information

Peldesine

Peldesine is a potent inhibitor of human CCRF-CEM T-cell proliferation. It has undergone phase I trials for the treatment of Human Immunodeficiency Virus (HIV) infections.

CAS Number133432-71-0
PubChem CID135413525
IUPAC Name2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Molecular FormulaC12H11N5O
Molecular Weight241.25
XLogP0.1
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity369
SMILES
C1=CC(=CN=C1)CC2=CNC3=C2N=C(NC3=O)N
InChI
InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
InChIKey
DOHVAKFYAHLCJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Peldesine
CAS: 133432-71-0
CID: 135413525
Formula: C12H11N5O
MW: 241.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.25
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass241.09635999
Monoisotopic Mass241.09635999
Topological Polar Surface Area96.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity369
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

Alternative Products

CatalogName
MBS3614997-01Peldesine
HY-106934A-01Peldesine (dihydrochloride)
MBS5803522Peldesine dihydrochloride
HY-106934ARPeldesine (dihydrochloride) (Standard)

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