DIF-3 - Moligand™,≥98% , CAS No.113411-17-9

CAS: 113411-17-9 Cat. No.: D648796 Molecular Weight: 272.72 PubChem CID: 3081033

GRADE & PURITY Moligand™, ≥98%

Synonyms

J-002961 | Dif-3 (dictyostelium) | Differentiation-inducing factor 3 | DTXSID50150408 | HY-145669 | 1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one | MS-23868 | DIF-3, >=99% (HPLC), solid | NCGC00165779-01 | 1-Hexanone, 1-(3-chloro-2,6-dihydroxy-4-m

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Differentiation-inducing factor-3 (DIF-3) is a monochlorinated metabolite of differentiation-inducing factor-1 (DIF-1), that belongs to the differentiation-inducing factor (DIF) family.

Specifications

Synonyms

J-002961 | Dif-3 (dictyostelium) | Differentiation-inducing factor 3 | DTXSID50150408 | HY-145669 | 1-(3-chloro-2, 6-dihydroxy-4-methoxyphenyl)hexan-1-one | MS-23868 | DIF-3, >=99% (HPLC), solid | NCGC00165779-01 | 1-Hexanone, 1-(3-chloro-2, 6-dihydroxy-4-m

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

DIF-3 reduces the expression levels of cyclin D1 and c-Myc by facilitating their degradation via activation of GSK-3β. DIF-3 inhibits Wnt/β-catenin signaling pathway-related proteins in DLD-1 cells. DIF-3 exerts a strong antiproliferative effect on the hu

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCC(=O)C1=C(C(=C(C=C1O)OC)Cl)O
• IUPAC Name: 1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one
• InChIKey: JWBMZIJMSBFBIY-UHFFFAOYSA-N
• INCHI: 1S/C13H17ClO4/c1-3-4-5-6-8(15)11-9(16)7-10(18-2)12(14)13(11)17/h7,16-17H,3-6H2,1-2H3
• Isomeric SMILES: CCCCCC(=O)C1=C(C(=C(C=C1O)OC)Cl)O
• WGK Germany: 3
• PubChem CID: 3081033
• Molecular Weight: 272.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Methoxyphenols Resorcinols Phenoxy compounds P-chlorophenols O-chlorophenols Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous acids Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Methoxyphenol - Anisole - Benzoyl - Phenoxy compound - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - Phenol ether - Resorcinol - Aryl alkyl ketone - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous acid - Ether - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Associated Targets(Human)

PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2601 Activities)

Discover Target: PAK1

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

A549 (127892 Activities)

Explore this target

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

Associated Targets(non-human)

Drosophila (190 Activities)

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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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (366.68 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 272.720 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 272.082 Da
• Monoisotopic Mass: 272.082 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 272.000
• 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