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Anticancer agent 43

CAT: 0931-T61046-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T61046-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2470015-35-9
Target
Apoptosis, PARP, Bcl-2 Family, Caspase
Related Pathways
Chromatin/Epigenetic, Proteases/Proteasome, DNA Damage/DNA Repair, Apoptosis
Purity
0.9888
Bioactivity
Anticancer agent 43 is a potent anticancer agent that induces apoptosis through caspase 3, PARP1, and Bax protein-dependent pathways.Anticancer agent 43 induces DNA damage and can be used in the study of glioblastoma in rats.
Smiles
C(C=1C=2C(NC1C(OC)=O)=CC=C(F)C2)=C3C(=O)NC(=S)S3
Molecular Formula
C14H9FN2O3S2
Molecular Weight
336.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 43
CAS Number2470015-35-9
PubChem CID163322351
IUPAC Namemethyl (3E)-5-fluoro-3-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylidene]indole-2-carboxylate
Molecular FormulaC14H9FN2O3S2
Molecular Weight336.4
XLogP2.3
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity630
SMILES
COC(=O)C\1=NC2=C(/C1=C\C3=C(NC(=S)S3)O)C=C(C=C2)F
InChI
InChI=1S/C14H9FN2O3S2/c1-20-13(19)11-8(5-10-12(18)17-14(21)22-10)7-4-6(15)2-3-9(7)16-11/h2-5,18H,1H3,(H,17,21)/b8-5+
InChIKey
GBWAVAUPOYYLNO-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 43
CAS: 2470015-35-9
CID: 163322351
Formula: C14H9FN2O3S2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass336.00386266
Monoisotopic Mass336.00386266
Topological Polar Surface Area128 Ų
Heavy Atom Count22
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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