MG149 - Moligand™, ≥99% , Inhibitor of lysine acetyltransferase 5;Inhibitor of lysine acetyltransferase 8, CAS No.1243583-85-8, Inhibitor of lysine acetyltransferase 5;Inhibitor of lysine acetyltransferase 8

CAS: 1243583-85-8 Cat. No.: M302287 Formule: C₂₂H₂₈O₃ Poids moléculaire: 340.46

QUALITÉ & PURETÉ Moligand™, ≥99%

Synonyms

Tip60 HAT inhibitor | 2-(4-Heptylphenethyl)-6-hydroxybenzoic acid | 2-[2-(4-Heptylphenyl)ethyl]-6-hydroxybenzoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

Tip60 HAT inhibitor | 2-(4-Heptylphenethyl)-6-hydroxybenzoic acid | 2-[2-(4-Heptylphenyl)ethyl]-6-hydroxybenzoic acid

Spécifications et pureté

Moligand™, ≥99%

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 lysine acetyltransferase 5;Inhibitor of lysine acetyltransferase 8

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504770955

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770955

Sourires canoniques

CCCCCCCC1=CC=C(C=C1)CCC2=C(C(=CC=C2)O)C(=O)O

IUPAC Name

2-[2-(4-heptylphenyl)ethyl]-6-hydroxybenzoic acid

InChIKey

WBHQYBZRTAEHRR-UHFFFAOYSA-N

INCHI

1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)

Isomères SMILES

CCCCCCCC1=CC=C(C=C1)CCC2=C(C(=CC=C2)O)C(=O)O

Termes d'entrée MeSH

2-(2-(4-heptylphenyl)ethyl)-6-hydroxy-benzoic acid;MG 149;MG-149;MG149

Poids moléculaire

340.46

Reaxy-Rn

20629850

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20629850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Salicylic acids Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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)

KAT8 Tchem Histone acetyltransferase KAT8 (1 Activities)

Discover Target: KAT8

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

KAT5 Tchem Histone acetyltransferase KAT5 (1 Activities)

Discover Target: KAT5

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)

Discover Target: YES1

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

HCT-116 (91556 Activities)

Explore this target

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

EP300 Tchem Histone acetyltransferase p300 (1259 Activities)

Discover Target: EP300

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

KAT2B Tchem Histone acetyltransferase PCAF (884 Activities)

Discover Target: KAT2B

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

KAT5 Tchem Histone acetyltransferase KAT5 (85 Activities)

Discover Target: KAT5

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

KAT8 Tchem Histone acetyltransferase KAT8 (178 Activities)

Discover Target: KAT8

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 340.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 340.204 Da
• Monoisotopic Mass: 340.204 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 25
• 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