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AV-1101

CAT: 0013-GTR19198193-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198193-03Size:100 mg
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Description
AV-1101 is a small molecule inhibitor of cytokine production investigated for potential HIV therapy. Research indicates it modulates immune responses, with studies exploring its effects in both cellular (in vitro) and animal (in vivo) models of viral infection and inflammation.
CAS Number
55648-39-0
Field of Research
Infectious Disease & Virology
Smiles
O=C1N (N (C (=O) C1 (CCCC) O) C2=CC=CC=C2) C3=CC=C (O) C=C3
Molecular Formula
C19H20N2O4
Molecular Weight
340.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxyoxyphenbutazone
CAS Number55648-39-0
PubChem CID9798014
IUPAC Name4-butyl-4-hydroxy-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
Molecular FormulaC19H20N2O4
Molecular Weight340.4
XLogP3.1
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity498
SMILES
CCCCC1(C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3)O
InChI
InChI=1S/C19H20N2O4/c1-2-3-13-19(25)17(23)20(14-7-5-4-6-8-14)21(18(19)24)15-9-11-16(22)12-10-15/h4-12,22,25H,2-3,13H2,1H3
InChIKey
DPLOKDYHDJEJST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyoxyphenbutazone
CAS: 55648-39-0
CID: 9798014
Formula: C19H20N2O4
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass340.14230712
Monoisotopic Mass340.14230712
Topological Polar Surface Area81.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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