13 Citations
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Basic Description
| Synonyms | Triglycidyl isocyanurate | 2451-62-9 | 1,3,5-Triglycidyl isocyanurate | 1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione | Triglycidylisocyanurate | Tris(2,3-epoxypropyl) isocyanurate | Glycidyl isocyanurate | Tri(epoxypropyl)isocyanurate | Tris(2,3-epoxypropy |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Triglycidyl isocyanurate is a reagent used in the synthesis of N-Benzyl Metaxalone , which is a muscle relaxant used to relax muscles and relieve pain. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Triazines
- Subclass Triazinones
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Class
Triazines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazines |
| Subclass | Triazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinones |
| Alternative Parents | 1,3,5-triazines Heteroaromatic compounds Ureas Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom. |
| External Descriptors | Not available |
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Associated Targets(Human)
ESR1
Tclin
Estrogen receptor alpha (17718 Activities)
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NR3C1
Tclin
Glucocorticoid receptor (14987 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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VDR
Tclin
Vitamin D receptor (26531 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MAOA
Tclin
Monoamine oxidase A (11911 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MAOB
Tclin
Monoamine oxidase B (8835 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PPARG
Tclin
Peroxisome proliferator-activated receptor gamma (15191 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RXRA
Tclin
Retinoid X receptor alpha (3637 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CXCL8
Tchem
Interleukin-8 (642 Activities)
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NR1H4
Tclin
Bile acid receptor FXR (6228 Activities)
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HBB
Tbio
Hemoglobin beta chain (329 Activities)
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TP53
Tchem
Cellular tumor antigen p53 (48468 Activities)
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DLD-1 (17511 Activities)
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DMS-273 (14108 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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SNB-78 (14240 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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XF498 (12972 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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Associated Targets(non-human)
Ppard
Peroxisome proliferator-activated receptor delta (358 Activities)
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Hdac6
Histone deacetylase 6 (222 Activities)
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Pseudomonas aeruginosa (123386 Activities)
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Klebsiella pneumoniae (43867 Activities)
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Staphylococcus aureus (210822 Activities)
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Acinetobacter baumannii (41033 Activities)
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Escherichia coli (133304 Activities)
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Plasmodium falciparum (966862 Activities)
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Cryptococcus neoformans (21258 Activities)
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Candida albicans (78123 Activities)
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P388 (20296 Activities)
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P388/ADR (1216 Activities)
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rep
Replicase polyprotein 1ab (378 Activities)
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Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
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Rorc
Nuclear receptor ROR-gamma (89407 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione |
|---|---|
| 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 |
| Smiles | C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4 |
| Isomeric SMILES | C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4 |
| RTECS | XZ1994900 |
| PubChem CID | 17142 |
| Molecular Weight | 297.26 |
| Reaxy-Rn | 765833 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | 108°C |
|---|---|
| Molecular Weight | 297.260 g/mol |
| XLogP3 | -1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 297.096 Da |
| Monoisotopic Mass | 297.096 Da |
| Topological Polar Surface Area | 98.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 416.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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