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GNE-064

CAT: 0804-HY-149026-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149026-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GNE-064 (compound 5) is a selective, orally active and highly soluble inhibitor of SMARCA4, SMARCA2 and PBRM1 bromodomains 5. GNE-064 inhibits SMARCA4 with an IC50 of 0.035 μM and inhibits SMARCA2 with an EC50 of 0.10 μM. GNE-064 possess Kds with 0.01, 0.016, 0.018 and 0.049 μM for SMARCA4, SMARCA2, PBRM1 bromodomains 5 and PBRM1 bromodomains 2, repectively. GNE-064 can be used as a chemical probe for the research of agent synthesis[1].
CAS Number
1997321-20-6
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gne-064.html
Concentration
10mM
Purity
99.65
Solubility
DMSO : ≥ 125 mg/mL
Smiles
CC(N1[C@H](C)CN(C2=CC(C3=CC=CC=C3O)=NN=C2N)CC1)=O
Molecular Formula
C17H21N5O2
Molecular Weight
327.38
References & Citations
[1]Taylor AM, et al. GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. J Med Chem. 2022 Aug 5.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Gne-064
CAS Number1997321-20-6
PubChem CID137029447
IUPAC Name1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]ethanone
Molecular FormulaC17H21N5O2
Molecular Weight327.4
XLogP0.6
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity449
SMILES
C[C@@H]1CN(CCN1C(=O)C)C2=CC(=NN=C2N)C3=CC=CC=C3O
InChI
InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1
InChIKey
FHRKRGDHMCCDEO-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Gne-064
CAS: 1997321-20-6
CID: 137029447
Formula: C17H21N5O2
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass327.16952493
Monoisotopic Mass327.16952493
Topological Polar Surface Area95.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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