KDM4D-IN-1 - ≥99% , CAS No.2098902-68-0

CAS: 2098902-68-0 Cat. No.: K412683 Formula: C₁₁H₇N₅O Peso molecolare: 225.21 PubChem CID: 137174251

GRADE & PURITY ≥99%

Synonyms

4,5-dihydro-2-methyl-5-oxo-Pyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

KDM4D-IN-1 KDM4D-IN-1 is a potent inhibitor of KDM4D with an IC50 of 0.41 μM.

Targets

KDM4D (Cell-free assay) 0.41 μM

Specifications

Sinonimi

4,5-dihydro-2-methyl-5-oxo-Pyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

KDM4D-IN-1 is a potent inhibitor of KDM4D with an IC50 of 0.41 μM.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥99%

Proprietà del prodotto

• ALogP: 0.685
• Conteggio HBD: 1

Nomi e identificatori

• Pubchem Sid: 504773482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773482
• Sorrisi canonici: CC1=NN2C(=C1C#N)NC(=O)C3=C2N=CC=C3
• IUPAC Name: 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile
• InChIKey: FIRSAIIBSBCBTF-UHFFFAOYSA-N
• INCHI: 1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
• Isomeri SMILES: CC1=NN2C(=C1C#N)NC(=O)C3=C2N=CC=C3
• PubChem CID: 137174251
• Peso molecolare: 225.21

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: Pyrido[2,3-d]pyrimidines Pyrazolo[1,5-a]pyrimidines Pyrimidones Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-pyrazolylpyridine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Lactam - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

KDM4D Tchem Lysine-specific demethylase 4D (1 Activities)

Discover Target: KDM4D

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

KDM4D Tchem Lysine-specific demethylase 4D (224 Activities)

Discover Target: KDM4D

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

KDM5A Tchem Lysine-specific demethylase 5A (893 Activities)

Discover Target: KDM5A

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

KDM2B Tchem Lysine-specific demethylase 2B (347 Activities)

Discover Target: KDM2B

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 6 mg/mL (26.64 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilità massima: 6
• DMSO (mM) Solubilità massima: 26.6418009857466
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 225.210 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 225.065 Da
• Monoisotopic Mass: 225.065 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 389.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2098902-68-0, the molecular formula is C11H7N5O, and the molecular weight is 225.21 g/mol. InChIKey FIRSAIIBSBCBTF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.