IOX4 - 10mM in DMSO , CAS No.1154097-71-8

CAS: 1154097-71-8 Cat. No.: I420730 Formule: C₁₅H₁₆N₆O₃ Poids moléculaire: 328.33

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

3-​Pyridinecarboxylic acid,6-​[2,​5-​dihydro-​5-​oxo-​4-​(1H-​1,​2,​3-​triazol-​1-​yl)​-​1H-​pyrazol-​1-​yl]​-​,1,​1-​dimethylethyl ester

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

IOX4 IOX4 is a potent and selective HIF prolyl-hydroxylase 2 (PHD2) inhibitor with IC50 of 1.6 nM. IOX4 induces HIFα in various mouse tissues and human cell lines.

Targets

HIF-1α ; HIF-2α ; PHD2 (Cell-free assay) ; 1.6 nM

Spécifications

Synonymes

3-​Pyridinecarboxylic acid,6-​[2,​5-​dihydro-​5-​oxo-​4-​(1H-​1,​2,​3-​triazol-​1-​yl)​-​1H-​pyrazol-​1-​yl]​-​,1,​1-​dimethylethyl ester

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

IOX4 is a potent and selective HIF prolyl-hydroxylase 2 (PHD2) inhibitor with IC50 of 1.6 nM. IOX4 induces HIFα in various mouse tissues and human cell lines.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Propriétés du produit

ALogP

0.137

hba_count

6

Nombre de HBD

1

Liaison rotative

5

Noms et identifiants

Pubchem Sid

528764900

Sourires canoniques

CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3

IUPAC Name

tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylate

InChIKey

HWQQDVNGHZIALS-UHFFFAOYSA-N

INCHI

1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3

Isomères SMILES

CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3

Poids moléculaire

328.33

Reaxy-Rn

20906823

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20906823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Pyridinecarboxylic acids Pyrazolones Vinylogous amides Triazoles Pyrazoles Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyrazolylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrazolinone - Azole - Pyrazole - 1,2,3-triazole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
• 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)

EGLN1 Tclin Egl nine homolog 1 (1 Activities)

Discover Target: EGLN1

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

EGLN2 Tclin Egl nine homolog 2 (1 Activities)

Discover Target: EGLN2

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

EGLN2 Tclin Hypoxia-inducible factor prolyl hydroxylase 1 (404 Activities)

Discover Target: EGLN2

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

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

HIF1AN Tbio Hypoxia-inducible factor 1-alpha inhibitor (79 Activities)

Discover Target: HIF1AN

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

Cibles associées (non humaines)

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

A085R Prolyl 4-hydroxylase (72 Activities)

Discover Target: A085R

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 66
• DMSO (mM) Solubilité maximale: 201.017269210855
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 328.330 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 328.128 Da
• Monoisotopic Mass: 328.128 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 544.000
• 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