YUKA1 - ≥99% , CAS No.708991-09-7

CAS: 708991-09-7 Cat. No.: Y651248 Formule: C₁₃H₁₆N₄O₂S Poids moléculaire: 292.36 PubChem CID: 2215170

GRADE & PURITY ≥99%

Synonyms

DTXSID101326169 | SCHEMBL17133087 | AKOS000623644 | SMR000288072 | 4-{[(3-methoxy-2-prop-2-enyloxyphenyl)methyl]amino}-1,2,4-triazole-3-thiol | YUKA1 | MLS000709605 | 4-[(3-methoxy-2-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione | 4-({[3-meth

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Vue d’ensemble

YUKA1 is a potent and cell permeable Lysine demethylase 5A ( KDM5A ) inhibitor, with an IC 50 of 2.66 μM, less active on KDM5C (IC 50 , 7.12 μM), and is inactive on KDM5B, KDM6A or KDM6B. YUKA1 increases H3K4me3 levels in human cells with anti-cancer activity

Form:Solid

IC50& Target:KDM5

Specifications

Synonymes

DTXSID101326169 | SCHEMBL17133087 | AKOS000623644 | SMR000288072 | 4-{[(3-methoxy-2-prop-2-enyloxyphenyl)methyl]amino}-1,2,4-triazole-3-thiol | YUKA1 | MLS000709605 | 4-[(3-methoxy-2-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione | 4-({[3-meth

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

YUKA1 is a potent and cell permeable Lysine demethylase 5A ( KDM5A ) inhibitor, with an IC 50 of 2.66 μM, less active on KDM5C (IC 50 , 7.12 μM), and is inactive on KDM5B, KDM6A or KDM6B. YUKA1 increases H3K4me3 levels in human cells with anti-cancer acti

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: COC1=CC=CC(=C1OCC=C)CNN2C=NNC2=S
• IUPAC Name: 4-[(3-methoxy-2-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione
• InChIKey: NHJCZZWENDYDEP-UHFFFAOYSA-N
• INCHI: 1S/C13H16N4O2S/c1-3-7-19-12-10(5-4-6-11(12)18-2)8-15-17-9-14-16-13(17)20/h3-6,9,15H,1,7-8H2,2H3,(H,16,20)
• Isomères SMILES: COC1=CC=CC(=C1OCC=C)CNN2C=NNC2=S
• CAS alternatif: 708991-09-7
• PubChem CID: 2215170
• Poids moléculaire: 292.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Azole - Triazoline - Heteroaromatic compound - 1,2,4-triazole - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This 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

Data sources

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

Cibles associées (humaines)

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

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

Cibles associées (non humaines)

ddn Putative uncharacterized protein (49 Activities)

Discover Target: ddn

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (342.04 mM; Need ultrasonic)
• Poids moléculaire: 292.360 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 292.099 Da
• Monoisotopic Mass: 292.099 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 377.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 708991-09-7, the molecular formula is C13H16N4O2S, and the molecular weight is 292.36 g/mol. InChIKey NHJCZZWENDYDEP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.