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Apoptotic agent-3

CAT: 0013-GTR19185117-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185117-01Size:1 mg
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Description
This small molecule induces apoptosis via the mitochondrial Bcl-2/Bax pathway and caspase-3 activation, demonstrating anti-proliferative activity. It is a useful research tool for studying programmed cell death mechanisms in cancer models, both in vitro and in vivo.
CAS Number
2482310-23-4
Field of Research
Cell Biology, Protein Biochemistry
Purity
99.31% (May vary between batches)
Smiles
N (N=C1C=2N=C3C=CC=CC3=NC2C4=CC=CC=C14) =C5SC=C (C=6C=CC (OC) =CC6) N5C=7C=CC=CC7
Molecular Formula
C31H21N5OS
Molecular Weight
511.6
Storage Conditions
-20°C
Notes
For research use only.

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
T209593-01Apoptotic agent-4
MBS5805863Apoptotic agent-2
HY-146197Apoptotic agent-1
T211756-01Apoptotic agent-6
T207122-01Apoptotic agent-5
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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