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WAY-643116 - 98%, high purity , CAS No.850020-01-8

COA

Grade & Purity:

≥98%

Cas Number: 850020-01-8
Molecular Weight: 320.3916
PubChem CID: 2608348
PubChem SID: 504760777

In stock

Item Number

W418415

Grouped product items
SKU	Size	Availability	Price
W418415-10mg	10mg	6	$668.90
W418415-25mg	25mg	3	$1,001.90
W418415-50mg	50mg	3	$1,201.90
W418415-100mg	100mg	2	$1,441.90
W418415-250mg	250mg	2	$2,161.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	MicroRNA modulators; microRNA (miR) modulators; MicroRNA modulators; MicroRNA modulators; altering the lifespan of a eukaryotic organism;

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazines
    - Subclass Aminotriazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazines
Subclass	Aminotriazines
Intermediate Tree Nodes	Not available
Direct Parent	1,3,5-triazine-2,4-diamines
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Toluenes Aralkylamines 1,3,5-triazines Heteroaromatic compounds Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4-diamine-s-triazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Toluene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Tertiary amine - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
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

Product Properties

ALogP	3.911
HBD Count	2
Rotatable Bond	5

Associated Targets(Human)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

microRNA 30a (159 Activities)

Explore this target

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

microRNA 21 (64692 Activities)

Explore this target

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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	504760777
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760777
IUPAC Name	6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
INCHI	InChI=1S/C18H20N6/c1-13-8-6-7-11-15(13)20-18-22-16(21-17(19)23-18)12-24(2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H3,19,20,21,22,23)
InChIKey	YYFSOEJVXMMFHA-UHFFFAOYSA-N
Smiles	CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN(C)C3=CC=CC=C3
Isomeric SMILES	CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN(C)C3=CC=CC=C3
PubChem CID	2608348
Molecular Weight	320.3916

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.

10 results found

Lot Number	Certificate Type	Date	Item
G23191167	Certificate of Analysis	May 06, 2023	W418415
G23191183	Certificate of Analysis	May 06, 2023	W418415
G23191169	Certificate of Analysis	May 06, 2023	W418415
G23191176	Certificate of Analysis	May 06, 2023	W418415
G23191214	Certificate of Analysis	May 06, 2023	W418415
G23191184	Certificate of Analysis	May 06, 2023	W418415
G23191177	Certificate of Analysis	May 06, 2023	W418415
G23191194	Certificate of Analysis	May 06, 2023	W418415
G23191221	Certificate of Analysis	May 06, 2023	W418415
G23191222	Certificate of Analysis	May 06, 2023	W418415

Chemical and Physical Properties

DMSO(mM) Max Solubility	10
Molecular Weight	320.400 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	320.175 Da
Monoisotopic Mass	320.175 Da
Topological Polar Surface Area	80.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	373.000
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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