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VR23

CAT: 0804-HY-18741-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18741-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VR23 is a small molecule that potently inhibits the activities of trypsin-like proteasomes (IC50=1 nM), chymotrypsin-like proteasomes (IC50=50-100 nM), and caspase-like proteasomes (IC50=3 μM) .
CAS Number
1624602-30-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Proteasome
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Metabolic Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/VR23.html
Purity
99.58
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
O=S(N1CCN(C2=CC=NC3=CC(Cl)=CC=C23)CC1)(C4=CC=C([N+]([O-])=O)C=C4[N+]([O-])=O)=O
Molecular Formula
C19H16ClN5O6S
Molecular Weight
477.88
Precautions
H302, H315, H319, H335
References & Citations
[1]Pundir S, et al. VR23: A Quinoline-Sulfonyl Hybrid Proteasome Inhibitor That Selectively Kills Cancer via Cyclin E-Mediated Centrosome Amplification. Cancer Res. 2015 Oct 1;75 (19) :4164-4175.|[2]Lee Hoyun, et al. Preparation of quinoline sulfonyl derivatives for the treatment of cancer. From PCT Int. Appl. (2014), WO 2014134705 A1 20140912.
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

7-Chloro-4-(4-((2,4-dinitrophenyl)sulfonyl)piperazin-1-yl)quinoline
CAS Number1624602-30-7
PubChem CID73442847
IUPAC Name7-chloro-4-[4-(2,4-dinitrophenyl)sulfonylpiperazin-1-yl]quinoline
Molecular FormulaC19H16ClN5O6S
Molecular Weight477.9
XLogP3.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity806
SMILES
C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H16ClN5O6S/c20-13-1-3-15-16(11-13)21-6-5-17(15)22-7-9-23(10-8-22)32(30,31)19-4-2-14(24(26)27)12-18(19)25(28)29/h1-6,11-12H,7-10H2
InChIKey
PDQVZPPIHADUOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloro-4-(4-((2,4-dinitrophenyl)sulfonyl)piperazin-1-yl)quinoline
CAS: 1624602-30-7
CID: 73442847
Formula: C19H16ClN5O6S
MW: 477.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight477.9
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass477.0509821
Monoisotopic Mass477.0509821
Topological Polar Surface Area154 Ų
Heavy Atom Count32
Formal Charge0
Complexity806
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