YKL-06-062 - ≥99% , CAS No.2172617-16-0

CAS: 2172617-16-0 Cat. No.: Y649680 Summenformel: C₃₁H₃₉N₇O Molekulargewicht: 525.69 PubChem CID: 139600310

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

YKL-06-062 is a second-generation salt-inducible kinase (SIK) inhibitor with an IC 50 of 2.12 nM/1.40 nM/2.86 nM for SIK1 , SIK2 and SIK3 , respectively.

In Vitro

YKL 06-062 (0.0004-16 μM; 3 hours) increases MITF mRNA expression in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. RT-PCRCell Line: Human melanocyte cells, UACC62 melanoma cells Concentration: 0.0004 μM, 0.004 μM, 0.04 μM, 0.4 μM, 4 μM,8 μM,16 μM Incubation Time: 3 hours Result: Unregulated MITF mRNA expression.

Form:Solid

Specifications

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

YKL-06-062 is a second-generation salt-inducible kinase (SIK) inhibitor with an IC 50 of 2.12 nM/1.40 nM/2.86 nM for SIK1 , SIK2 and SIK3 , respectively.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CC1=C(C(=CC=C1)C)N2CC3=CN=C(N=C3N(C2=O)C4CCCCC4)NC5=CC=C(C=C5)N6CCN(CC6)C
• IUPAC Name: 1-cyclohexyl-3-(2,6-dimethylphenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one
• InChIKey: GFXPGVPPWWPDPV-UHFFFAOYSA-N
• INCHI: 1S/C31H39N7O/c1-22-8-7-9-23(2)28(22)37-21-24-20-32-30(34-29(24)38(31(37)39)27-10-5-4-6-11-27)33-25-12-14-26(15-13-25)36-18-16-35(3)17-19-36/h7-9,12-15,20,27H,4-6,10-11,16-19,21H2,1-3H3,(H,32,33,34)
• PubChem CID: 139600310
• Molekulargewicht: 525.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Pyrimidones N-methylpiperazines Imidolactams Heteroaromatic compounds Ureas Trialkylamines Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Pyrimidone - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 25 mg/mL (47.56 mM; Need ultrasonic)
• Molekulargewicht: 525.700 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 525.322 Da
• Monoisotopic Mass: 525.322 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 795.000
• 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