RG2833 - Moligand™, ≥98% , Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 3, CAS No.1215493-56-3, Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 3

CAS: 1215493-56-3 Cat. No.: R127721 Formule: C₂₀H₂₅N₃O₂ Poids moléculaire: 339.43 PubChem CID: 56654642

GRADE & PURITY Moligand™, ≥98%

Synonyms

AS-55992 | FT-0700118 | AC-33034 | N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide | N-[6-(2-aminophenylamino)-6-oxohexyl]-4-methylbenzamide | RGFP 109 | BDBM207629 | AKOS030525997 | DTXSID20153300 | A13139 | N-(6-(2-Aminophenylamino)-6-oxohexyl)-4-me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

AS-55992 | FT-0700118 | AC-33034 | N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide | N-[6-(2-aminophenylamino)-6-oxohexyl]-4-methylbenzamide | RGFP 109 | BDBM207629 | AKOS030525997 | DTXSID20153300 | A13139 | N-(6-(2-Aminophenylamino)-6-oxohexyl)-4-me

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Description: IC50 Value: N/A RGFP 109 is a histone deacetylase inhibitor which can attenuate L-DOPA-induced dyskinesia in the MPTP-lesioned marmoset. in vitro: N/A in vivo: RGFP109 had no acute effects on dyskinesia after single or 6 days once-daily trea

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

Mécanisme d'action

Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 3

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504771433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771433
• Sourires canoniques: CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC2=CC=CC=C2N
• IUPAC Name: N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide
• InChIKey: VOPDXHFYDJAYNS-UHFFFAOYSA-N
• INCHI: 1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
• Isomères SMILES: CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC2=CC=CC=C2N
• PubChem CID: 56654642
• Poids moléculaire: 339.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Aminoanilides
• Alternative Parents: p-Toluamides Benzamides N-arylamides Benzoyl derivatives Aniline and substituted anilines Fatty amides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2'-aminoanilide - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Aniline or substituted anilines - N-arylamide - Toluene - Fatty acyl - Fatty amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2'-aminoanilides. These are organic compounds containing an anilide moieties that carries an amino group at the 2-position of the benzene ring.
• 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)

HDAC1 Tclin Histone deacetylase 1 (3 Activities)

Discover Target: HDAC1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC3 Tclin Histone deacetylase 3 (3 Activities)

Discover Target: HDAC3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LTA4H Tchem Leukotriene A4 hydrolase (1442 Activities)

Discover Target: LTA4H

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

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

Discover Target: HDAC2

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

HDAC3 Tclin Histone deacetylase 3 (3654 Activities)

Discover Target: HDAC3

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

HDAC4 Tclin Histone deacetylase 4 (2328 Activities)

Discover Target: HDAC4

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

HDAC7 Tclin Histone deacetylase 7 (1047 Activities)

Discover Target: HDAC7

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

HepG2 (196354 Activities)

Explore this target

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

HDAC3 Tclin Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (735 Activities)

Discover Target: HDAC3

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

Cibles associées (non humaines)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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

Hdac5 Histone deacetylase 5 (5 Activities)

Discover Target: Hdac5

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: insoluble in H2O; ≥16.95 mg/mL in DMSO; ≥8.05 mg/mL in EtOH with gentle warming and ultrasonic
• Poids moléculaire: 339.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 339.195 Da
• Monoisotopic Mass: 339.195 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 419.000
• 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