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CLK8 , CAS No.898920-65-5

COA

Cas Number: 898920-65-5
Molecular Weight: 498.53
PubChem CID: 4869040

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Item Number

C647919

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SKU	Size	Availability	Price
C647919-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90
C647919-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
C647919-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90
C647919-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,050.90

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Cryptochrome (1) Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395)

Basic Description

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 Temp	Store at 2-8°C,Protected from light,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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 In Vitro CLK8 (10-40 μM; 4-6 d) enhances the amplitude of the Bmal1-dLuc signal in U2OS and NIH 3T3 cells in a dose-dependent manner with no period change. CLK8 (10-40 μM) reduces BMAL1-CLOCK interaction, whereas the interaction between CLOCK-F80A, K220A and BMAL1 is not affected in HEK293T cells. CLK8 (20 μM; 2 d) reduces nuclear localization of CLOCK in U2OS cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo CLK8 (25 mg/kg; a single i.p.) decreases CLOCK levels in whole cell lysates of the mouse livers, whereas the levels of BMAL1 and CRY1 are unaltered . CLK8 (5-1000 mg/kg; i.p.) exhibits no mortality or clinical signs (dyspnea, hyporeflexia, reduced locomotor activity, piloerection, hunched posture, and corneal opacity) at the doses of 5 and 25 mg/kg . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male C57BL/6J mice (8 weeks, 18-24 g) Dosage: 25 mg/kg Administration: A single i.p. Result: A decrease in CLOCK levels was detected in whole cell lysates of the mouse livers, whereas the levels of BMAL1 and CRY1 were unaltered. Decreased the abundance of CLOCK in the nucleus. The abundances of cytosolic and nuclear BMAL1 and CRY1 were unaltered. Decreased Cry1 transcriptional level. Form:Solid IC50& Target:CLOCK

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
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

Names and Identifiers

IUPAC Name	2-[[2-[(8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]benzamide
INCHI	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)
InChIKey	SVELPNHVEDZZRQ-UHFFFAOYSA-N
Smiles	CC1(CCC2=C3C(=C(C=C2O1)OCC(=O)NC4=CC=CC=C4C(=O)N)C(=CC(=O)O3)C5=CC=CC=C5)C
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 50 mg/mL (100.29 mM; Need ultrasonic)
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 Å²
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

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