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LY 181984

CAT: 0804-HY-116849Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116849Size:1 Each
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Description
LY181984 is a compound in a series of orally active diarylsulfonylureas. LY181984 shows antitumor activity[1][2].
CAS Number
3955-50-8
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ly-181984.html
Purity
94.67
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NS(=O)(C1=CC=C(C)C=C1)=O)NC2=CC=C(C=C2)Cl
Molecular Formula
C14H13ClN2O3S
Molecular Weight
324.78
References & Citations
[1]Morré DJ, et al. A circulating form of NADH oxidase activity responsive to the antitumor sulfonylurea N-4- (methylphenylsulfonyl) -N'- (4-chlorophenyl) urea (LY181984) specific to sera from cancer patients. J Bioenerg Biomembr. 1997;29 (3) :281-289. |[2]Neubauer BL, et al. Inhibition of PAIII rat prostatic adenocarcinoma growth and metastasis by a new diarylsulfonylurea antitumor agent, LY181984. J Urol. 1992;147 (2) :500-504.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

LY 181984
CAS Number3955-50-8
PubChem CID160725
IUPAC Name1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylurea
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.8
XLogP3.7
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity447
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)
InChIKey
YOIDHZBOHMNTNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY 181984
CAS: 3955-50-8
CID: 160725
Formula: C14H13ClN2O3S
MW: 324.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.8
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass324.0335411
Monoisotopic Mass324.0335411
Topological Polar Surface Area83.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity447
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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CatalogName
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