PU-WS13 - Moligand™,≥95% , CAS No.1454619-14-7

CAS: 1454619-14-7 Cat. No.: P691715 Formule: C₁₇H₂₀Cl₂N₆S Poids moléculaire: 411.35

GRADE & PURITY Moligand™, ≥95%

Synonyms

PU WS13 | 8-((3,5-Dichlorophenyl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

PU-WS13 is a selective Grp94 inhibitor, with an EC50 of 0.22 μM.

Specifications

Synonymes

PU WS13 | 8-((3,5-Dichlorophenyl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine

Spécifications et pureté

Moligand™,≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N
• IUPAC Name: 8-(3,5-dichlorophenyl)sulfanyl-9-[3-(propan-2-ylamino)propyl]purin-6-amine
• InChIKey: JYSLFQTWNRYWJT-UHFFFAOYSA-N
• INCHI: 1S/C17H20Cl2N6S/c1-10(2)21-4-3-5-25-16-14(15(20)22-9-23-16)24-17(25)26-13-7-11(18)6-12(19)8-13/h6-10,21H,3-5H2,1-2H3,(H2,20,22,23)
• Isomères SMILES: CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N
• Poids moléculaire: 411.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: 6-aminopurines Thiophenol ethers Dichlorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Dialkylamines Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - 6-aminopurine - Imidazopyrimidine - Purine - 1,3-dichlorobenzene - Thiophenol ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - N-substituted imidazole - Benzenoid - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Sulfenyl compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

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HSP90B1 Tchem Endoplasmin (1 Activities)

Discover Target: HSP90B1

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

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

HSP90AB1 Tchem Heat shock protein HSP 90-beta (1689 Activities)

Discover Target: HSP90AB1

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MDA-MB-468 (9477 Activities)

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HSP90B1 Tchem Endoplasmin (514 Activities)

Discover Target: HSP90B1

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TRAP1 Tchem Heat shock protein 75 kDa, mitochondrial (274 Activities)

Discover Target: TRAP1

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 411.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 410.085 Da
• Monoisotopic Mass: 410.085 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 435.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1454619-14-7, the molecular formula is C17H20Cl2N6S, and the molecular weight is 411.35 g/mol. InChIKey JYSLFQTWNRYWJT-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.