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Apoptotic agent-3

CAT: 0931-T63530-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T63530-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2482310-23-4
Target
Caspase, Apoptosis, Bcl-2 Family, Others
Related Pathways
Apoptosis, Proteases/Proteasome, Others
Bioactivity
Apoptotic agent-3 utilizes a potential mitochondrial-mediated Bcl-2/Bax pathway and activates the caspase-3 pathway to promote apoptosis, exhibiting anti-proliferative effects that can be used to study cancer.
Smiles
N(N=C1N(C(=CS1)C2=CC=C(OC)C=C2)C3=CC=CC=C3)=C4C=5C(C=6C4=CC=CC6)=NC=7C(N5)=CC=CC7
Molecular Formula
C31H21N5OS
Molecular Weight
511.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Apoptotic agent-3
CAS Number2482310-23-4
PubChem CID164517146
IUPAC Name(E)-N-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]-4-(4-methoxyphenyl)-3-phenyl-1,3-thiazol-2-imine
Molecular FormulaC31H21N5OS
Molecular Weight511.6
XLogP6.9
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity937
SMILES
COC1=CC=C(C=C1)C2=CS/C(=N/N=C/3\C4=CC=CC=C4C5=NC6=CC=CC=C6N=C53)/N2C7=CC=CC=C7
InChI
InChI=1S/C31H21N5OS/c1-37-22-17-15-20(16-18-22)27-19-38-31(36(27)21-9-3-2-4-10-21)35-34-29-24-12-6-5-11-23(24)28-30(29)33-26-14-8-7-13-25(26)32-28/h2-19H,1H3/b34-29+,35-31+
InChIKey
WAEQWWIOOILUGW-VFHYRVMQSA-N
Chemical Structure
2D Structure
2D structure of Apoptotic agent-3
CAS: 2482310-23-4
CID: 164517146
Formula: C31H21N5OS
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass511.14668148
Monoisotopic Mass511.14668148
Topological Polar Surface Area88.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity937
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C8522-50Apoptotic agent-3
MBS5805863Apoptotic agent-2
GTR19187607-01Apoptotic agent-1
GTR19264104-01Apoptotic agent-6
GTR19258039-01Apoptotic agent-5
GTR19262241-01Apoptotic agent-4
HY-161705Anti-apoptotic agent 1
MBS7042707-01Fas apoptotic inhibitory molecule 3
144278Caspase 9 (Apoptotic protease Mch-6, Apoptotic protease-activating factor 3)
144277Caspase 7 P11 (Apoptotic protease Mch-3, CMH-1, ICE-like apoptotic protease 3)

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