SBP-7455 - Moligand™ , Inhibitor of unc-51 like autophagy activating kinase 1;Inhibitor of unc-51 like autophagy activating kinase 2, CAS No.S613474, Inhibitor of unc-51 like autophagy activating kinase 1;Inhibitor of unc-51 like autophagy activating kinase 2

CAS: S613474 Cat. No.: S613474 PubChem CID: 132178569

GRADE & PURITY Moligand™

Synonyms

compound 26;SBP7455

Storage

Room temperature

Specifications

Synonyme

compound 26;SBP7455

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of unc-51 like autophagy activating kinase 1;Inhibitor of unc-51 like autophagy activating kinase 2

Namen und Kennungen

• Kanonisches Lächeln: COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F
• IUPAC Name: N4-cyclopropyl-N2-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• InChIKey: BQROJYIEHOOQBY-UHFFFAOYSA-N
• INCHI: 1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)
• Isomere SMILES: COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C(F)(F)F)OC
• PubChem CID: 132178569

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Phenoxy compounds Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Anisole - Secondary aliphatic/aromatic amine - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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)

ULK1 Tchem Serine/threonine-protein kinase ULK1 (1 Activities)

Discover Target: ULK1

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

ULK2 Tchem Serine/threonine-protein kinase ULK2 (0 Activities)

Discover Target: ULK2

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

MDA-MB-468 (9477 Activities)

Explore this target

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

ULK2 Tchem Serine/threonine-protein kinase ULK2 (652 Activities)

Discover Target: ULK2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 354.330 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 354.13 Da
• Monoisotopic Mass: 354.13 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 436.000
• 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