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(E, E) -RGFP966

CAT: 0804-HY-W019710-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W019710-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E, E) -RGFP966 is a selective and CNS permeable HDAC3 inhibitor that can be used for the research of Huntington’s disease[1].
CAS Number
1396841-57-8
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/e-e-rgfp966.html
Purity
99.31
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(F)C=C1N)/C=C/C2=CN(C/C=C/C3=CC=CC=C3)N=C2
Molecular Formula
C21H19FN4O
Molecular Weight
362.40
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
References & Citations
[1]Jia H, et al. The Effects of Pharmacological Inhibition of Histone Deacetylase 3 (HDAC3) in Huntington's Disease Mice. PLoS One. 2016 Mar 31;11 (3) :e0152498.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Rgfp966

RGFP966 is a member of the class of pyrazoles that is 1H-pyrazole substituted by (1E)-1-phenylprop-1-en-3-yl and (1E)-3-(2-amino-4-fluoroanilino)-3-oxoprop-1-en-1-yl groups at positions 1 and 4, respectively. It is a histone deacetylase 3 inhibitor. It has a role as an antidepressant, an EC 3.5.1.98 (histone deacetylase) inhibitor, a neuroprotective agent and an anti-inflammatory agent. It is a member of pyrazoles, a substituted aniline, an enamide, an aromatic amide and a member of monofluorobenzenes.

CAS Number1396841-57-8
PubChem CID56650312
IUPAC Name(E)-N-(2-amino-4-fluorophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
Molecular FormulaC21H19FN4O
Molecular Weight362.4
XLogP3.2
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity532
SMILES
C1=CC=C(C=C1)/C=C/CN2C=C(C=N2)/C=C/C(=O)NC3=C(C=C(C=C3)F)N
InChI
InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
InChIKey
BLVQHYHDYFTPDV-VCABWLAWSA-N
Chemical Structure
2D Structure
2D structure of Rgfp966
CAS: 1396841-57-8
CID: 56650312
Formula: C21H19FN4O
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass362.15428940
Monoisotopic Mass362.15428940
Topological Polar Surface Area72.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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