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TD52

CAT: 0804-HY-135699-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135699-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TD52, an Erlotinib derivative, is an orally active, potent cancerous inhibitor of protein phosphatase 2A (CIP2A) inhibitor. TD52 mediates the apoptotic effect in triple-negative breast cancer (TNBC) cells via regulating the CIP2A/PP2A/p-Akt signalling pathway. TD52 indirectly reduced CIP2A by disturbing Elk1 binding to the CIP2A promoter. TD52 has less p-EGFR inhibition and has potent anti-cancer activity[1]. TD52 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
1798328-24-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Akt; Apoptosis; Phosphatase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/td52.html
Purity
95.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C#CC1=CC(NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(C#C)=C4)=CC=C1
Molecular Formula
C24H16N4
Molecular Weight
360.41
Precautions
H302, H315, H319
References & Citations
[1]Chun-Yu Liu, et al. EGFR-independent Elk1/CIP2A signalling mediates apoptotic effect of an erlotinib derivative TD52 in triple-negative breast cancer cells. Eur J Cancer. 2017 Feb;72:112-123.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N2,N3-Bis(3-ethynylphenyl)quinoxaline-2,3-diamine
CAS Number1798328-24-1
PubChem CID118656842
IUPAC Name2-N,3-N-bis(3-ethynylphenyl)quinoxaline-2,3-diamine
Molecular FormulaC24H16N4
Molecular Weight360.4
XLogP5.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity559
SMILES
C#CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C#C
InChI
InChI=1S/C24H16N4/c1-3-17-9-7-11-19(15-17)25-23-24(26-20-12-8-10-18(4-2)16-20)28-22-14-6-5-13-21(22)27-23/h1-2,5-16H,(H,25,27)(H,26,28)
InChIKey
SCUPZFSEJFWQIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2,N3-Bis(3-ethynylphenyl)quinoxaline-2,3-diamine
CAS: 1798328-24-1
CID: 118656842
Formula: C24H16N4
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass360.137496527
Monoisotopic Mass360.137496527
Topological Polar Surface Area49.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity559
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

Alternative Products

CatalogName
M28041-01TD52
BUP06586-01TD52 dihydrochloride

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