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Leteprinim

CAT: 0931-T32658L-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T32658L-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138117-50-7
Target
Others, ROS, Reactive Oxygen Species
Related Pathways
Metabolism, Others, NF-κB, Immunology/Inflammation
Purity
0.9908
Bioactivity
Leteprinim (AIT 082 acid) is an hypoxanthine derivative that stimulates in vitro neurite outgrowth and the production of adenosine and neurotrophins from astrocytes.
Smiles
C(CC(NC1=CC=C(C(O)=O)C=C1)=O)N2C3=C(C(=O)N=CN3)N=C2
Molecular Formula
C15H13N5O4
Molecular Weight
327.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Leteprinim

Leteprinim is an amidobenzoic acid.

CAS Number138117-50-7
PubChem CID135409548
IUPAC Name4-[3-(6-oxo-1H-purin-9-yl)propanoylamino]benzoic acid
Molecular FormulaC15H13N5O4
Molecular Weight327.29
XLogP-0.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity544
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)
InChIKey
JMPOIZCOJJMTHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leteprinim
CAS: 138117-50-7
CID: 135409548
Formula: C15H13N5O4
MW: 327.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight327.29
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass327.09675391
Monoisotopic Mass327.09675391
Topological Polar Surface Area126 Ų
Heavy Atom Count24
Formal Charge0
Complexity544
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