CLK8 - Moligand™, ≥98% , CAS No.898920-65-5

CAS: 898920-65-5 Cat. No.: C647919 Molecular Weight: 498.53 PubChem CID: 4869040

GRADE & PURITY Moligand™, ≥98%

Storage

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

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

CLK8 is a potent and specific CLOCK inhibitor that can disrupt the interaction between CLOCK and BMAL1 and interfere with nuclear translocation of CLOCK. CLK8 can be used for the research of disorders associated with dampened circadian rhythms.

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(CCC2=C3C(=C(C=C2O1)OCC(=O)NC4=CC=CC=C4C(=O)N)C(=CC(=O)O3)C5=CC=CC=C5)C
• IUPAC Name: 2-[[2-[(8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]benzamide
• InChIKey: SVELPNHVEDZZRQ-UHFFFAOYSA-N
• INCHI: 1S/C29H26N2O6/c1-29(2)13-12-19-22(37-29)15-23(35-16-24(32)31-21-11-7-6-10-18(21)28(30)34)26-20(14-25(33)36-27(19)26)17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3,(H2,30,34)(H,31,32)
• Isomeric SMILES: CC1(CCC2=C3C(=C(C=C2O1)OCC(=O)NC4=CC=CC=C4C(=O)N)C(=CC(=O)O3)C5=CC=CC=C5)C
• PubChem CID: 4869040
• Molecular Weight: 498.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Neoflavonoids
      • Subclass Prenylated neoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Neoflavonoids
• Subclass: Prenylated neoflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prenylated neoflavonoids
• Alternative Parents: Pyranoneoflavonoids Neoflavones Angular pyranocoumarins Pyranochromenes Acylaminobenzoic acid and derivatives 2,2-dimethyl-1-benzopyrans Anilides Benzamides Benzoyl derivatives N-arylamides Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Lactones Primary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Prenylated neoflavonoid - Pyranoneoflavonoid - 4-phenylcoumarin - Pyranocoumarin - Angular pyranocoumarin - Pyranochromene - Acylaminobenzoic acid or derivatives - 2,2-dimethyl-1-benzopyran - Coumarin - 1-benzopyran - Chromane - Benzopyran - Anilide - Benzoic acid or derivatives - Benzamide - N-arylamide - Benzoyl - Pyranone - Alkyl aryl ether - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Lactone - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (100.29 mM; Need ultrasonic)
• Sensitivity: Moisture sensitive;Light sensitive
• Molecular Weight: 498.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 498.179 Da
• Monoisotopic Mass: 498.179 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 910.000
• 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