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BRD6688

CAT: 0607-C5334-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C5334-10Size:10 mg
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Description
HDAC inhibitor
CAS Number
1404562-17-9
Product Name Alternative
N-[2-amino-5-(4-pyridinyl)phenyl]-1-pyrrolidinecarboxamide
Field of Research
Chromatin Epigenetics HDAC
Purity
0.98
Form
A crystalline solid
Solubility
≤2mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
O=C(N1CCCC1)NC2=CC(C3=CC=NC=C3)=CC=C2N
Molecular Formula
C16H18N4O
Molecular Weight
282.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-[2-amino-5-(4-pyridinyl)phenyl]-1-pyrrolidinecarboxamide

BRD6688 is a pyrrolidinecarboxamide that is N-phenylpyrrolidine-1-carboxamide substituted by amino and pyridin-4-yl groups at positions 2 and 5, respectively. It is a HDAC inhibitor (IC50 = 21 nM, 100 nM, and 11.48 M for HDAC1, HDAC2, and HDAC3, respectively) and has shown to enhance cognition in mouse models. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and a nootropic agent. It is a member of pyridines, a pyrrolidinecarboxamide, a member of ureas, a substituted aniline and a biaryl.

CAS Number1404562-17-9
PubChem CID66575862
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
Molecular FormulaC16H18N4O
Molecular Weight282.34
XLogP1.5
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity350
SMILES
C1CCN(C1)C(=O)NC2=C(C=CC(=C2)C3=CC=NC=C3)N
InChI
InChI=1S/C16H18N4O/c17-14-4-3-13(12-5-7-18-8-6-12)11-15(14)19-16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10,17H2,(H,19,21)
InChIKey
YZXBMJVMSBSGMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-amino-5-(4-pyridinyl)phenyl]-1-pyrrolidinecarboxamide
CAS: 1404562-17-9
CID: 66575862
Formula: C16H18N4O
MW: 282.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.34
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass282.14806121
Monoisotopic Mass282.14806121
Topological Polar Surface Area71.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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