GNE-781
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MedKoo CAT#: 407813

CAS#: 1936422-33-1

Description: GNE-781 is a Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) . GNE-781 showed TR-FRET IC50 = 0.94 nM, BRET IC50 = 6.2 nM, BRD4(1) IC50 = 5,100 nΜ) that maintained good in vivo PK properties in multiple species. GNE-781 displays anti-tumor activity in an AML tumor model and was also shown to decrease Foxp3 transcript levels in a dose dependent manner.


Chemical Structure

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GNE-781
CAS# 1936422-33-1

Theoretical Analysis

MedKoo Cat#: 407813
Name: GNE-781
CAS#: 1936422-33-1
Chemical Formula: C27H33F2N7O2
Exact Mass: 525.2664
Molecular Weight: 525.6048
Elemental Analysis: C, 61.70; H, 6.33; F, 7.23; N, 18.65; O, 6.09

Price and Availability

Size Price Availability Quantity
10.0mg USD 550.0 2 Weeks
25.0mg USD 950.0 2 Weeks
50.0mg USD 1650.0 2 Weeks
100.0mg USD 2650.0 2 Weeks
200.0mg USD 4650.0 2 Weeks
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Synonym: GNE-781; GNE 781; GNE781.

IUPAC/Chemical Name: 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-tetrahydropyran-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

InChi Key: CQCWHSDMJBAGDC-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)

SMILES Code: O=C(N1CCC(N(C2CCOCC2)N=C3N4CCCC5=C4C=C(C(F)F)C(C6=CN(C)N=C6)=C5)=C3C1)NC

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: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 525.6048 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

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1: Romero FA, Murray JM, Lai KW, Tsui V, Albrecht BK, An L, Beresini MH, de Leon
Boenig G, Bronner SM, Chan EW, Chen KX, Chen Z, Choo EF, Clagg K, Clark K,
Crawford TD, Cyr P, De Almeida Nagata D, Gascoigne KE, Grogan JL, Hatzivassiliou
G, Huang W, Hunsaker TL, Kaufman S, Koenig SG, Li R, Li Y, Liang X, Liao J, Liu
W, Ly JQ, Maher J, Masui C, Merchant M, Ran Y, Taylor AM, Wai JS, Wang F, Wei X,
Yu D, Zhu BY, Zhu X, Magnuson SR. GNE-781, A Highly Advanced Potent and Selective
Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding
Protein, Binding Protein (CBP). J Med Chem. 2017 Sep 11. doi:
10.1021/acs.jmedchem.7b00796. [Epub ahead of print] PubMed PMID: 28892380.

GNE-781

10.0mg / USD 550.0


Additional Information

Inhibition of the bromodomain of the transcriptional regulator CBP/P300 is an especially interesting new therapeutic approach in oncology.