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ACY-1083

CAT: 0931-T10244-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10244-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1708113-43-2
Target
HDAC
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair
Purity
0.9943
Bioactivity
ACY-1083 is a selective, brain-penetrating HDAC6 inhibitor (IC50: 3 nM) that effectively reverses chemotherapy-induced peripheral neuropathy.
Smiles
ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1
Molecular Formula
C17H18F2N4O2
Molecular Weight
348.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
CAS Number1708113-43-2
PubChem CID91844718
IUPAC Name2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35
XLogP2.5
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity454
SMILES
C1CC(CCC1(C2=CC=CC=C2)NC3=NC=C(C=N3)C(=O)NO)(F)F
InChI
InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)
InChIKey
MRWCVKLVSWYIFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
CAS: 1708113-43-2
CID: 91844718
Formula: C17H18F2N4O2
MW: 348.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.35
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass348.13978215
Monoisotopic Mass348.13978215
Topological Polar Surface Area87.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity454
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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Alternative Products

CatalogName
BUP07003-01ACY-1083
A19985-50ACY-1083 50mg
A19985-1ACY-1083 1mg
A19985-100ACY-1083 100mg
A19985-10ACY-1083 10mg
A19985-5ACY-1083 5mg
A19985-500ACY-1083 500mg
A19985-25ACY-1083 25mg
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