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Anticancer agent 35

CAT: 0804-HY-115960Size: 1 EachDry Ice: NoHazardous: No
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Description
Anticancer agent 35 (compound 10), a sulfonylurea derivative, is a potent anticancer agent. Anticancer agent 35 inhibits A549, A431, PACA2 cell growth with IC50s of 18.1 µg/mL, 4.0 µg/mL, 18.9 µg/mL, respectively[1].
CAS Number
2902563-75-9
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/anticancer-agent-35.html
Solubility
10 mM in DMSO
Smiles
CC1=CC=C(C=C1)S(=O)(NC(NC2=NC(C3=CC=CS3)=CS2)=O)=O
Molecular Formula
C15H13N3O3S3
Molecular Weight
379.48
References & Citations
[1]Farid M. Sroor, et al. Anticancer and antimicrobial activities of new thiazolyl-urea derivatives: gene expression, DNA damage, DNA fragmentation and SAR studies. Medicinal Chemistry Research volume 31, pages400–415 (2022) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Anticancer agent 35
CAS Number2902563-75-9
PubChem CID163196218
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea
Molecular FormulaC15H13N3O3S3
Molecular Weight379.5
XLogP3.7
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity544
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CS2)C3=CC=CS3
InChI
InChI=1S/C15H13N3O3S3/c1-10-4-6-11(7-5-10)24(20,21)18-14(19)17-15-16-12(9-23-15)13-3-2-8-22-13/h2-9H,1H3,(H2,16,17,18,19)
InChIKey
JYYMCJAPFDGTKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 35
CAS: 2902563-75-9
CID: 163196218
Formula: C15H13N3O3S3
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass379.01190481
Monoisotopic Mass379.01190481
Topological Polar Surface Area153 Ų
Heavy Atom Count24
Formal Charge0
Complexity544
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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