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
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.
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.
| 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 |
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
