NVS-CECR2-1 | CAS#1992047-61-6 | CECR2 inhibitor

MedKoo Cat#: 563614 | Name: NVS-CECR2-1

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Description:

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

NVS-CECR2-1 is a potent and selective CECR2 inhibitor.

Chemical Structure

NVS-CECR2-1

CAS#1992047-61-6 (free base)

Theoretical Analysis

MedKoo Cat#: 563614

Name: NVS-CECR2-1

CAS#: 1992047-61-6 (free base)

Chemical Formula: C27H37N5O2S

Exact Mass: 495.2668

Molecular Weight: 495.69

Elemental Analysis: C, 65.42; H, 7.52; N, 14.13; O, 6.46; S, 6.47

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 240.00
5mg	USD 440.00
10mg	USD 660.00

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Related CAS #

1992047-61-6 (free base) NVS-CECR2-1 HCl

Synonym

NVS-CECR2-1; NVS CECR2 1; NVSCECR21; NVS-1; NVS 1; NVS1;

IUPAC/Chemical Name

Cyclopropyl-{2-(propane-1-sulfonyl)-6-[1-(2,2,6,6-tetramethyl-piperidin-4-yl)-1H-indol-5-yl]-pyrimidin-4-yl}-amine

InChi Key

XVECNLUKQDKOST-UHFFFAOYSA-N

InChi Code

InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)

SMILES Code

CC1(C)CC(N2C=CC3=C2C=CC(C4=CC(NC5CC5)=NC(S(=O)(CCC)=O)=N4)=C3)CC(C)(C)N1

Appearance

Solid powder

Purity

>95% (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

2934.99.03.00

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot# C22M03C15

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

NVS-CECR2-1, a non-BET family Bromodomain (BRD) inhibitor.

In vitro activity:

NVS-CECR2-1 inhibits chromatin binding of CECR2 BRD and displaces CECR2 from chromatin within cells. NVS-CECR2-1 exhibits cytotoxic activity against various human cancer cells, killing SW48 colon cancer cells in particular with a submicromolar half maximum inhibition value mainly by inducing apoptosis. The sensitivity of the cancer cells to NVS-CECR2-1 is reduced by CECR2 depletion, suggesting that NVS-CECR2-1 exerts its activity by targeting CECR2. Interestingly, these data show that NVS-CECR2-1 also kills cancer cells by CECR2-independent mechanism. Reference: Sci Rep. 2020 Oct 1;10(1):16330. https://pubmed.ncbi.nlm.nih.gov/33004947/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	38.9	78.37

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 495.69 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:

Park SG, Lee D, Seo HR, Lee SA, Kwon J. Cytotoxic activity of bromodomain inhibitor NVS-CECR2-1 on human cancer cells. Sci Rep. 2020 Oct 1;10(1):16330. doi: 10.1038/s41598-020-73500-7. PMID: 33004947; PMCID: PMC7529788.

In vitro protocol:

In vivo protocol:

TBD