NIBR-17 - Moligand™, ≥98% , CAS No.944396-88-7

CAS: 944396-88-7 Cat. No.: N412353 Summenformel: C₁₈H₂₀N₈O₂ Molekulargewicht: 380.40

GRADE & PURITY Moligand™, ≥98%

Synonyms

N6-(6-Methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Information

NIBR-17 is a pan class I PI3K inhibitor with IC50 of 1 nM, 9.2 nM, 9 nM and 20 nM for PI3KKα, PI3KKβ, PI3KKγ and PI3KKδ, respectively .

Specifications

Synonyme

N6-(6-Methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

NIBR-17 is a pan class I PI3K inhibitor with IC50 of 1 nM, 9.2 nM, 9 nM and 20 nM for PI3KKα, PI3KKβ, PI3KKγ and PI3KKδ, respectively .

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: COC1=NC=C(C=C1)NC2=NC(=NC(=C2)C3=CN=C(N=C3)N)N4CCOCC4
• IUPAC Name: 6-(2-aminopyrimidin-5-yl)-N-(6-methoxypyridin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
• InChIKey: XZTYTIOLZIKUJR-UHFFFAOYSA-N
• INCHI: 1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)
• Isomere SMILES: COC1=NC=C(C=C1)NC2=NC(=NC(=C2)C3=CN=C(N=C3)N)N4CCOCC4
• Molekulargewicht: 380.40
• Reaxy-Rn: 12937897
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12937897&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyrimidines and derivatives Aminopyridines and derivatives Alkyl aryl ethers Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Morpholine - Oxazinane - Imidolactam - Pyrimidine - Pyridine - Heteroaromatic compound - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Zugehörige Ziele (menschlich)

PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (1 Activities)

Discover Target: PIK3CG

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

PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (1 Activities)

Discover Target: PIK3CD

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

PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

Discover Target: PIK3CD

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

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

Discover Target: PIK3CG

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

PI4KB Tchem PI4-kinase beta subunit (1593 Activities)

Discover Target: PI4KB

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

PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)

Discover Target: PIK3CB

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

A2780 (11979 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Mus musculus (284745 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 380.400 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 380.171 Da
• Monoisotopic Mass: 380.171 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 473.000
• 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