IOX2 - Moligand™, ≥98% , Inhibitor of egl-9 family hypoxia inducible factor 1;Inhibitor of lysine demethylase 2A;Inhibitor of lysine demethylase 5C, CAS No.931398-72-0, Inhibitor of egl-9 family hypoxia inducible factor 1;Inhibitor of lysine demethylase 2A;Inhibitor of lysine demethylase 5C

CAS: 931398-72-0 Cat. No.: I127127 Fórmula: C₁₉H₁₆N₂O₅ Peso molecular: 352.34 Número CE: 804-733-4

GRAU & PUREZA Moligand™, ≥98%

Synonyms

BCP06141 | sodium (1-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycinate | NCGC00344625-13 | EX-A099 | HMS3426G15 | NCGC00344625-02 | CHEBI:95087 | FT-0746473 | IOX2, >=98% (HPLC) | AKOS024458165 | N-[[1,2-Dihydro-4-hydroxy-2-oxo-1-(phenylmet

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

IOX2 is a potent inhibitor of HIF-1α prolyl hydroxylase-2 (PHD2) with IC50 of 21 nM in a cell-free assay, >100-fold selectivity over JMJD2A, JMJD2C, JMJD2E, JMJD3, or the 2OG oxygenase FIH.

Especificações

Sinónimos

BCP06141 | sodium (1-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycinate | NCGC00344625-13 | EX-A099 | HMS3426G15 | NCGC00344625-02 | CHEBI:95087 | FT-0746473 | IOX2, >=98% (HPLC) | AKOS024458165 | N-[[1,2-Dihydro-4-hydroxy-2-oxo-1-(phenylmet

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

IOX2 is selective and potent inhibitor of prolyl hydroxylases (PHD). Stabilization of HIF-1R through inhibition of PHD has been examined as a potential treatment for ischemic diseases including anemia, myocardial infarction, and stroke. IOX2 is a selectiv

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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 egl-9 family hypoxia inducible factor 1;Inhibitor of lysine demethylase 2A;Inhibitor of lysine demethylase 5C

Nota

Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508810584

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810584

Sorrisos canónicos

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O

IUPAC Name

2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid

InChIKey

CAOSCCRYLYQBES-UHFFFAOYSA-N

INCHI

1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)

SMILES isoméricas

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O

WGK Alemanha

3

Peso molecular

352.34

Reaxy-Rn

12851765

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12851765&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass 1-benzylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: 1-benzylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzylquinolines
• Alternative Parents: Quinoline-3-carboxamides N-acyl-alpha amino acids Hydroquinolones Hydroxyquinolines Hydroquinolines Pyridinecarboxylic acids and derivatives Pyridinones Hydroxypyridines Benzene and substituted derivatives Vinylogous amides Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzylquinoline - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Quinoline-3-carboxamide - Dihydroquinolone - Hydroxyquinoline - Alpha-amino acid or derivatives - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Hydroxypyridine - Pyridinone - Benzenoid - Pyridine - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-benzylquinolines. These are organic aromatic compounds containing a quinoline that is substituted at the 1-position by a benzyl 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

Alvos associados (humanos)

EGLN1 Tclin Egl nine homolog 1 (3 Activities)

Discover Target: EGLN1

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

KDM5C Tchem Lysine-specific demethylase 5C (1 Activities)

Discover Target: KDM5C

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

KDM2A Tchem Lysine-specific demethylase 2A (1 Activities)

Discover Target: KDM2A

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

EGLN1 Tclin Egl nine homolog 1 (1702 Activities)

Discover Target: EGLN1

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO 100 mg/ml
• Peso molecular: 352.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 352.106 Da
• Monoisotopic Mass: 352.106 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 609.000
• 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