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6-Azathymine - 97%, high purity , CAS No.932-53-6

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6-Azathymine - 97%, high purity , CAS No.932-53-6

COA

Grade & Purity:

≥97%

Cas Number: 932-53-6
Molecular Weight: 127.1
MDL number: MFCD00006457
PubChem CID: 70269
PubChem SID: 488184509

In stock

Item Number

A151412

Grouped product items
SKU	Size	Availability	Price
A151412-250mg	250mg	5	$117.90
A151412-1g	1g	5	$424.90
A151412-5g	5g	1	$1,911.90
A151412-25g	25g	2	$8,602.90

View related series

Anti-infection (2803) Bacterial (3013) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Influenza Virus (253) Nucleoside Antimetabolite/Analog (200) Six-Membered Heterocyclic Compounds (1696) triazines (92) Virus (1811)

Basic Description

Synonyms	CHEBI:102328 \| CHEBI:134692 \| HY-136559 \| BSPBio_000345 \| Prestwick_662 \| REMDESIVIR [INN] \| NSC 3426 \| 1,2,4-Triazine-3,5(2H,4H)-dione, 6-methyl- \| 6-Methyl-as-triazine-3,5-(2H,4H)-dione \| 6-Methyl-as-triazine-3,5(2H,4H)-dione \| STL216013 \| 6-Methyl-1,4-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazines
    - Subclass 1,2,4-triazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazines
Subclass	1,2,4-triazines
Intermediate Tree Nodes	Not available
Direct Parent	1,2,4-triazines
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,4-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488184509
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184509
IUPAC Name	6-methyl-2H-1,2,4-triazine-3,5-dione
INCHI	InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKey	XZWMZFQOHTWGQE-UHFFFAOYSA-N
Smiles	CC1=NNC(=O)NC1=O
Isomeric SMILES	CC1=NNC(=O)NC1=O
Molecular Weight	127.1
Reaxy-Rn	126863
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126863&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
E2315055	Certificate of Analysis	May 20, 2023	A151412
E2315042	Certificate of Analysis	May 20, 2023	A151412
E23151013	Certificate of Analysis	May 19, 2023	A151412
E2315054	Certificate of Analysis	May 19, 2023	A151412
E2315051	Certificate of Analysis	May 19, 2023	A151412
E2315039	Certificate of Analysis	May 19, 2023	A151412
E23151014	Certificate of Analysis	May 19, 2023	A151412
E2315050	Certificate of Analysis	May 19, 2023	A151412

Chemical and Physical Properties

Melt Point(°C)	214 °C
Molecular Weight	127.100 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	127.038 Da
Monoisotopic Mass	127.038 Da
Topological Polar Surface Area	70.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	196.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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