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VR-23

CAT: 0013-GTR19162954-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19162954-02Size:1 g
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Description
A potent inhibitor of trypsin-like proteasome (IC50=1 nM), chymotrypsin-like proteasome (IC50=50-100 nM) and caspase-like proteasome (IC50=3 uM) ; targets the β2 of the 20S proteasome catalytic subunit and structurally distinct from other known proteasome inhibitors and selectively kills cancer cells by apoptosis, with little effect on noncancerous cells.
CAS Number
1624602-30-7
Product Name Alternative
VR23
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=S (N1CCN (C2=CC=NC3=CC (Cl) =CC=C32) CC1) (C4=C (C=C (C=C4) [N+] ([O-]) =O) [N+] ([O-]) =O) =O
Molecular Formula
C19H16ClN5O6S
Molecular Weight
477.8782
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Quinoline, 7-chloro-4-[4-[ (2,4-dinitrophenyl) sulfonyl]-1-piperazinyl]-

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...
View on PubChemRaw 3D data
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

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