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Apoptotic agent-3

CAT: 0804-HY-147929-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147929-02Size:10 mg
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Description
Apoptotic agent-3 (compound 15f) promotes apoptosis through the potential mitochondria-mediated Bcl-2/Bax pathway and activation of the Caspase 3 pathway. Apoptotic agent-3 exhibits anti-proliferative activities and can be used for cancer research[1].
CAS Number
2482310-23-4
UNSPSC
12352005
Target
Apoptosis; Bcl-2 Family; Caspase
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/apoptotic-agent-3.html
Purity
98.19
Solubility
10 mM in DMSO
Smiles
COC1=CC=C(C2=CS/C(N2C3=CC=CC=C3)=N/N=C4C5=C(C6=NC7=CC=CC=C7N=C6\4)C=CC=C5)C=C1
Molecular Formula
C31H21N5OS
Molecular Weight
511.60
References & Citations
[1]Fayed EA, et al. In vitro cytotoxic activity of thiazole-indenoquinoxaline hybrids as apoptotic agents, design, synthesis, physicochemical and pharmacokinetic studies. Bioorg Chem. 2020 Jul;100:103951.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Bax; Bcl-2; Caspase 3

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
GTR19187607-01Apoptotic agent-1
GTR19264104-01Apoptotic agent-6
GTR19258039-01Apoptotic agent-5
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)
315711-01Fas apoptotic Inhibitory molecule 3 (FAIM3)

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