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 Fórmula: C₂₂H₂₈O₃ Peso molecular: 340.46

GRAU & PUREZA 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

Especificações

Sinónimos

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

Especificações e pureza

Moligand™, ≥99%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of lysine acetyltransferase 5;Inhibitor of lysine acetyltransferase 8

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504770955

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

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

Termos de entrada MeSH

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

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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