1-Ethyl-3-(4-methoxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione , CAS No.144294-65-5

CAS: 144294-65-5 Cat. No.: E668573 Molecular Weight: 313.31
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Synonyms
1-Ethyl-3-(4-methoxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione | Oprea1_738262 | DNDI1318588 | BDBM50420474 | STK249722 | AKOS001873421 | CCG-144083 | 144294-65-5 | SR-01000432322 | SR-01000432322-1 | D052-0169
Storage
Room temperature
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Size
Status
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1mg
E668573-1mg
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$571.90

$999.90
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5mg
E668573-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1-Ethyl-3-(4-methoxyphenyl)-6-methylpyrimido[5, 4-e][1, 2, 4]triazine-5, 7(1H, 6H)-dione | Oprea1_738262 | DNDI1318588 | BDBM50420474 | STK249722 | AKOS001873421 | CCG-144083 | 144294-65-5 | SR-01000432322 | SR-01000432322-1 | D052-0169
Storage
Room temperature
Product Properties
ALogP1.3
Names and Identifiers
Canonical SmilesCCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)OC)C
IUPAC Name1-ethyl-3-(4-methoxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
InChIKeyOYEOXFZRVNDRKZ-UHFFFAOYSA-N
INCHI1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3
Isomeric SMILES CCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)OC)C
Molecular Weight 313.31
Reaxy-Rn 5830583
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5830583&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassAnisoles
Intermediate Tree Nodes Not available
Direct ParentAnisoles
Alternative Parents Phenoxy compounds  Methoxybenzenes  Pyrimidones  Alkyl aryl ethers  1,2,4-triazines  Vinylogous amides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Triazine - 1,2,4-triazine - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TGM1 Tchem Protein-glutamine gamma-glutamyltransferase K (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TGM3 Tchem Protein-glutamine gamma-glutamyltransferase E (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CASP3 Tchem Caspase-3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TGM2 Tchem Protein-glutamine gamma-glutamyltransferase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CASP3 Tchem Caspase-3 (3632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGM3 Tchem Protein-glutamine glutamyltransferase E (94 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGM1 Tchem Protein-glutamine gamma-glutamyltransferase K (164 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGM2 Tchem Protein-glutamine gamma-glutamyltransferase (1221 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F13A1 Tchem Coagulation factor XIII (223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lipdh Dihydrolipoyl dehydrogenase (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight313.310 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass313.117 Da
Monoisotopic Mass313.117 Da
Topological Polar Surface Area86.900 Ų
Heavy Atom Count23
Formal Charge0
Complexity617.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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