GNE-886

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MedKoo CAT#: 407494

CAS#: 2101957-05-3

Description: GNE-886 is A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). GNE-886 was found to have a CECR2 "dot" EC50 of 370 nM. GNE-886 had a wide selectivity over the 40 bromodomains tested, with only BRD9 (KD = 2000 μM) and its homologue BRD7 (KD = 1100 μM), as well as TAF1(2) (KD =0.62 μM) and its homologue TAF1L(2) (KD = 2400 μM), showing significant binding.

Chemical Structure

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GNE-886
CAS# 2101957-05-3
Instruction

Theoretical Analysis

MedKoo Cat#: 407494
Name: GNE-886
CAS#: 2101957-05-3
Chemical Formula: C28H30N6O3
Exact Mass: 498.24
Molecular Weight: 498.587
Elemental Analysis: C, 67.45; H, 6.07; N, 16.86; O, 9.63

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: GNE-886; GNE 886; GNE886.

IUPAC/Chemical Name: 6-allyl-N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]-4-piperidyl]-N-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

InChi Key: ZKIRTFGYQVXNGL-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H30N6O3/c1-4-12-34-17-23(22-8-11-29-26(22)28(34)36)27(35)32(2)20-9-13-33(14-10-20)25-16-24(30-18-31-25)19-6-5-7-21(15-19)37-3/h4-8,11,15-18,20,29H,1,9-10,12-14H2,2-3H3

SMILES Code: O=C(C1=CN(CC=C)C(C2=C1C=CN2)=O)N(C3CCN(C4=NC=NC(C5=CC=CC(OC)=C5)=C4)CC3)C

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: >2 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: Cat eye syndrome chromosome region candidate 2 (CECR2) is a bromodomain-containing transcription factor that, with the ISWI-type catalytic subunit SMARCA1/SNF2L or SMARCA5/ SNF2H, forms the heterodimeric chromatin remodeling complex CERF (CECR2-containing remodeling factor). CECR2 has been found to be important in DNA damage response (DDR), as CECR2 knockdown has been shown to result in decreased γ-H2AX foci formation.13 Cecr2 deletion has also been associated with neural tube defect (NTD) exencephaly.

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 498.59 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.

Recalculate based on batch purity %
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:
In vitro protocol:
In vivo protocol:

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GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2)
Terry D. Crawford, James E. Audia, Steve Bellon, Daniel J. Burdick, Archana Bommi-Reddy, Alexandre Côté, Richard T. Cummings, Martin Duplessis, E. Megan Flynn, Michael Hewitt, Hon-Ren Huang, Hariharan Jayaram, Ying Jiang, Shivangi Joshi, James R. Kiefer, Jeremy Murray, Christopher G. Nasveschuk, Arianne Neiss, Eneida Pardo, F. Anthony Romero, Peter Sandy, Robert J. Sims III, Yong Tang, Alexander M. Taylor, Vickie Tsui, Jian Wang, Shumei Wang, Yongyun Wang, Zhaowu Xu, Laura Zawadzke, Xiaoqin Zhu, Brian K. Albrecht, Steven R. Magnuson, and Andrea G. Cochran
Publication Date (Web): June 1, 2017 (Letter)
DOI: 10.1021/acsmedchemlett.7b00132