APY 29 - ≥98%(HPLC) , CAS No.1216665-49-4

CAS: 1216665-49-4 Cat. No.: A288548 Summenformel: C₁₇H₁₆N₈ Molekulargewicht: 332.36

GRADE & PURITY ≥98%(HPLC)

Synonyms

(E)-N-(6-((5-cyclopropyl-1H-pyrazol-3-yl)imino)-1,6-dihydropyrimidin-2-yl)-1H-benzo[d]imidazol-6-amine | N2-1H-Benzimidazol-6-yl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4-Pyrimidindiamin | APY29 (Typ-I-Kinaseinhibitor) | N2-(1H-Benzo[d]imidazol-6-yl)-N4-

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

Produkt-Beschreibung:

APY29 gilt als Typ-I-Kinase-Inhibitor des Inositol-fordernden Kinase-Enzyms 1 α (IRE1α).

Specifications

Synonyme

(E)-N-(6-((5-cyclopropyl-1H-pyrazol-3-yl)imino)-1,6-dihydropyrimidin-2-yl)-1H-benzo[d]imidazol-6-amine | N2-1H-Benzimidazol-6-yl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4-Pyrimidindiamin | APY29 (Typ-I-Kinaseinhibitor) | N2-(1H-Benzo[d]imidazol-6-yl)-N4-

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Allosterischer Modulator von IRE1α. Hemmt die IRE1α-Autophosphorylierung (IC50= 280 nM) und aktiviert die IRE1α-Ribonuklease-Aktivität.APY29 ist ein kleines Molekül, das die Kinase-Aktivität von IRE1α (in vitro-Autophosphorylierung IC50 = 280 nM) hemmt, i

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504770199

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770199

Kanonisches Lächeln

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5

IUPAC Name

2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

InChIKey

WJNBSTLIALIIEW-UHFFFAOYSA-N

INCHI

1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)

Isomere SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5

Molekulargewicht

332.36

Reaxy-Rn

29219298

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29219298&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Benzenoids Pyrazoles Imidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Pyrazole - Imidazole - Azole - Heteroaromatic compound - Secondary amine - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 33.24, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 16.62, Max Conc. mM: 50
• Schmelzpunkt (°C): >280°C
• Molekulargewicht: 332.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 332.15 Da
• Monoisotopic Mass: 332.15 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 458.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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.