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Triglycidyl isocyanurate

CAT: 0931-T22443-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T22443-01Size:1 mL - 10 mM (in DMSO)
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CAS Number
2451-62-9
Target
Apoptosis, MDM-2/p53
Related Pathways
Apoptosis
Purity
0.9901
Bioactivity
Triglycidyl isocyanurate (Teroxirone) is a triazene triepoxide with antineoplastic and antiangiogenic activity. It inhibits growth of human non-small cell lung cancer cells by activating p53. Triglycidyl isocyanurate alkylates and cross-links DNA, thereby inhibiting DNA replication. It induces cell apoptosis and can be used for cancer research[1][2]. Triglycidyl isocyanurate is also used in various polyester powder coatings in the metal finishing industry.
Smiles
C(N1C(=O)N(CC2CO2)C(=O)N(CC3CO3)C1=O)C4CO4
Molecular Formula
C12H15N3O6
Molecular Weight
297.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Triglycidyl isocyanurate

Tris(2,3-epoxypropyl)isocyanurate is a white crystalline solid. (NTP, 1992)

CAS Number2451-62-9
PubChem CID17142
IUPAC Name1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
Molecular FormulaC12H15N3O6
Molecular Weight297.26
XLogP-1.5
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity416
SMILES
C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4
InChI
InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
InChIKey
OUPZKGBUJRBPGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triglycidyl isocyanurate
CAS: 2451-62-9
CID: 17142
Formula: C12H15N3O6
MW: 297.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight297.26
XLogP3-1.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass297.09608521
Monoisotopic Mass297.09608521
Topological Polar Surface Area98.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes