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I-XW-053

CAT: 0804-HY-103078-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103078-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
I-XW-053 is an inhibitor of HIV-1 capsid protein that can suppress the replication of HIV-189BZ167 with an IC50 value of 164.2 μM. I-XW-053 exhibits antiviral activity and can block the interface between capsid protein (CA) N-terminal domains (NTD-NTD interface) with micromolar affinity[1].
CAS Number
5496-35-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
HIV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/i-xw-053.html
Purity
99.71
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)C1=CC=C(C2=NC(C3=CC=CC=C3)=C(C4=CC=CC=C4)N2)C=C1
Molecular Formula
C22H16N2O2
Molecular Weight
340.38
Precautions
H302, H315, H319, H335
References & Citations
[1]Kortagere S, et al. Structure-activity relationships of a novel capsid targeted inhibitor of HIV-1 replication. J Chem Inf Model. 2014;54 (11) :3080-3090.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2(4-Carboxyphenyl)-4,5-diphenylimidazole

used in photo processing

CAS Number5496-35-5
PubChem CID192811
IUPAC Name4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
Molecular FormulaC22H16N2O2
Molecular Weight340.4
XLogP4.6
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity463
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O2/c25-22(26)18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(H,23,24)(H,25,26)
InChIKey
BCXPNUSETAZHEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(4-Carboxyphenyl)-4,5-diphenylimidazole
CAS: 5496-35-5
CID: 192811
Formula: C22H16N2O2
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass340.121177757
Monoisotopic Mass340.121177757
Topological Polar Surface Area66 Ų
Heavy Atom Count26
Formal Charge0
Complexity463
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

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