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RN-18

CAT: 0804-HY-102014-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-102014-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RN-18 is a HIV-1 viral infectivity factor (HIV-1 Vif) inhibitor with an IC50 of 6 μM in nonpermissive H9 cells.
CAS Number
431980-38-0
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/RN-18.html
Concentration
10mM
Purity
98.75
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=CC=C1OC)C2=CC=CC=C2SC3=CC=C([N+]([O-])=O)C=C3
Molecular Formula
C20H16N2O4S
Molecular Weight
380.42
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Mohammed I, et al. SAR and Lead Optimization of an HIV-1 Vif-APOBEC3G Axis Inhibitor. ACS Med Chem Lett. 2012 Jun 14;3 (6) :465-469.|[2]Nathans R, et al. Small-molecule inhibition of HIV-1 Vif. Nat Biotechnol. 2008 Oct;26 (10) :1187-92.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HIV-1

Chemical Information

2-(4-Nitrophenylthio)-N-(2-methoxyphenyl)benzamide
CAS Number431980-38-0
PubChem CID1317590
IUPAC NameN-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
Molecular FormulaC20H16N2O4S
Molecular Weight380.4
XLogP4.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity505
SMILES
COC1=CC=CC=C1NC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O4S/c1-26-18-8-4-3-7-17(18)21-20(23)16-6-2-5-9-19(16)27-15-12-10-14(11-13-15)22(24)25/h2-13H,1H3,(H,21,23)
InChIKey
JKNUDHUHXMELIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Nitrophenylthio)-N-(2-methoxyphenyl)benzamide
CAS: 431980-38-0
CID: 1317590
Formula: C20H16N2O4S
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass380.08307817
Monoisotopic Mass380.08307817
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity505
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