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Obefazimod

CAT: 0013-GTR19167129-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167129-01Size:2 mg
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Description
Obefazimod (ABX-464) is a small molecule that potently suppresses HIV-1 replication in stimulated PBMCs with an IC50 ranging from 0.1 to 0.5 μM. It is a research tool for investigating antiviral mechanisms and has been evaluated in both in vitro assays and clinical (in vivo) studies for HIV infection.
CAS Number
1258453-75-6
Product Name Alternative
ABX 464, ABX464, ABX-464, Inhibitor, HIVProtease, HIV Protease, HIV, Human immunodeficiency virus, inhibit, Obefazimod
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Purity
99.86% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (9.74 mM) ; DMSO:100 mg/mL (295.24 mM)
Smiles
FC (F) (F) Oc1ccc (Nc2ccc3cccc (Cl) c3n2) cc1
Molecular Formula
C16H10ClF3N2O
Molecular Weight
338.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Obefazimod

ABX-464 is under investigation in clinical trial NCT03905109 (Safety Evaluation of ABX464 in Patients With Moderate to Severe Active Crohn's Disease).

CAS Number1258453-75-6
PubChem CID49846599
IUPAC Name8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.71
XLogP5.9
Topological Polar Surface Area34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity388
SMILES
C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)
InChIKey
OZOGDCZJYVSUBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Obefazimod
CAS: 1258453-75-6
CID: 49846599
Formula: C16H10ClF3N2O
MW: 338.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.71
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass338.0433751
Monoisotopic Mass338.0433751
Topological Polar Surface Area34.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity388
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
T8311-01Obefazimod
HY-100870RObefazimod (Standard)

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