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

CAS: 2172617-16-0 Cat. No.: Y649680 Formule: C₃₁H₃₉N₇O Poids moléculaire: 525.69 PubChem CID: 139600310

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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

Poids moléculaire

525.69

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 25 mg/mL (47.56 mM; Need ultrasonic)
• Poids moléculaire: 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