GeA-69 - ≥99% , CAS No.2143475-98-1

CAS: 2143475-98-1 Cat. No.: G412515 Fórmula: C₂₀H₁₆N₂O Peso molecular: 300.35

GRADE & PURITY ≥99%

Synonyms

N-[2-(9H-Carbazol-1-yl)phenyl]-acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

GeA-69 GeA-69 is a cell-permeable, selective allosteric inhibitor targeting macrodomain 2 (MD2) of poly-adenosine-diphosphate-ribose polymerase 14 (PARP14) with Kd of 860 nM.

Targets

PARP14-MD2 (Cell-free assay) 860 nM(Kd)

Specifications

Sinónimos

N-[2-(9H-Carbazol-1-yl)phenyl]-acetamide

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

GeA-69 is a cell-permeable, selective allosteric inhibitor targeting macrodomain 2 (MD2) of poly-adenosine-diphosphate-ribose polymerase 14 (PARP14) with Kd of 860 nM.

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.

Pureza

≥99%

Propriedades do produto

ALogP

3.962

hba_count

1

Contagem HBD

2

Ligação rotativa

2

Nomes e identificadores

Pubchem Sid

528764743

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764743

Sorrisos canónicos

CC(=O)NC1=CC=CC=C1C2=CC=CC3=C2NC4=CC=CC=C34

IUPAC Name

N-[2-(9H-carbazol-1-yl)phenyl]acetamide

InChIKey

LDPDVNYCIOHPGF-UHFFFAOYSA-N

INCHI

1S/C20H16N2O/c1-13(23)21-18-11-4-2-7-14(18)16-9-6-10-17-15-8-3-5-12-19(15)22-20(16)17/h2-12,22H,1H3,(H,21,23)

SMILES isoméricas

CC(=O)NC1=CC=CC=C1C2=CC=CC3=C2NC4=CC=CC=C34

Peso molecular

300.35

Reaxy-Rn

32144804

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32144804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Acetanilides N-acetylarylamines Indoles Pyrroles Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Acetanilide - N-acetylarylamine - Anilide - Indole - N-arylamide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a 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

Alvos associados (humanos)

PARP14 Tchem Poly [ADP-ribose] polymerase 14 (2 Activities)

Discover Target: PARP14

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 60 mg/mL (199.76 mM); Ethanol: 10 mg/mL (33.29 mM); Water: Insoluble
• Sensibilidade: Moisture sensitive
• DMSO (mg/mL) Solubilidade máxima: 60
• DMSO (mM) Solubilidade máxima: 199.766938571666
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 300.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 300.126 Da
• Monoisotopic Mass: 300.126 Da
• Topological Polar Surface Area: 44.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 437.000
• 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