NCC007 | CAS#2342583-66-6 | CKIα and CKIδ dual inhibitor

MedKoo Cat#: 555431 | Name: NCC007

Description:

WARNING: This product is for research use only, not for human or veterinary use.

NCC007 is a novel CKIα and CKIδ dual inhibitor. NCC007 that showed stronger period effects (0.32 μM for 5 h period lengthening) in a cellbased circadian assay. The following in vitro kinase assay showed that NCC007 inhibited CKIα and CKIδ with an IC50 of 1.8 and 3.6 μM. We further demonstrated that NCC007 lengthened the period of mouse behavioral rhythms in vivo. Thus, NCC007 is a valuable tool compound to control circadian rhythms through CKI inhibition.

Chemical Structure

NCC007

CAS#2342583-66-6

Theoretical Analysis

MedKoo Cat#: 555431

Name: NCC007

CAS#: 2342583-66-6

Chemical Formula: C22H28F3N7

Exact Mass: 447.2358

Molecular Weight: 447.51

Elemental Analysis: C, 59.05; H, 6.31; F, 12.74; N, 21.91

Price and Availability

Size	Price	Availability
100mg	USD 450.00	2 Weeks
200mg	USD 750.00	2 Weeks
500mg	USD 1,650.00	2 Weeks
1g	USD 2,950.00	2 Weeks
2g	USD 5,250.00	2 Weeks

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Related CAS #

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Synonym

NCC007; NCC-007; NCC 007;

IUPAC/Chemical Name

9-(1-Cyclopropylethyl)-N2-(2-(dimethylamino)ethyl)-N6-(3-(trifluoromethyl)benzyl)-9H-purine-2,6-diamine

InChi Key

GHRNSZVMIARHIS-UHFFFAOYSA-N

InChi Code

InChI=1S/C22H28F3N7/c1-14(16-7-8-16)32-13-28-18-19(29-21(30-20(18)32)26-9-10-31(2)3)27-12-15-5-4-6-17(11-15)22(23,24)25/h4-6,11,13-14,16H,7-10,12H2,1-3H3,(H2,26,27,29,30)

SMILES Code

FC(C1=CC(CNC2=C3N=CN(C(C4CC4)C)C3=NC(NCCN(C)C)=N2)=CC=C1)(F)F

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Circadian rhythms are controlled by transcriptional feedback loops of clock genes and proteins. The stability of clock proteins is regulated by post-translational modification, such as phosphorylation by kinases. In particular, casein kinase I (CKI) phosphorylates the PER protein to regulate proteasomal degradation and nuclear localization. Therefore, CKI inhibition can modulate mammalian circadian rhythms.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

NCC007 is a dual casein kinase Iα (CKIα) and δ (CKIδ) inhibitor with IC50s of 1.8 and 3.6 μM, respectively.

In vitro activity:

This study identified NCC007 that showed stronger period effects (0.32 μM for 5 h period lengthening) in a cell-based circadian assay. The following in vitro kinase assay showed that NCC007 inhibited CKIα and CKIδ with an IC50 of 1.8 and 3.6 μM. Reference: J Med Chem. 2019 Feb 28;62(4):1989-1998. https://pubmed.ncbi.nlm.nih.gov/30707835/

In vivo activity:

To extend these findings to the in vivo application, pharmacological inhibition of both CKIα and CKIδ by longdaysin and NCC007 was tested in mice. Following the administration of NCC007, a more period lengthening effect with 0.15 h at 5 and 15 mM was shown. The period length became normal by buffer infusion after NCC007 treatment, demonstrating that the effect is reversible. This result indicated that the compounds are able to control the circadian behavior in vivo. Reference: J Med Chem. 2019 Feb 28;62(4):1989-1998. https://pubmed.ncbi.nlm.nih.gov/30707835/

	Solvent	mg/mL	mM
Solubility
	DMSO	125.0	279.32

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 447.51 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

Lee JW, Hirota T, Ono D, Honma S, Honma KI, Park K, Kay SA. Chemical Control of Mammalian Circadian Behavior through Dual Inhibition of Casein Kinase Iα and δ. J Med Chem. 2019 Feb 28;62(4):1989-1998. doi: 10.1021/acs.jmedchem.8b01541. Epub 2019 Feb 15. PMID: 30707835; PMCID: PMC8901179.

In vitro protocol:

In vivo protocol:

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