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ACY-738

CAT: 1410-M11552-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M11552-01Size:2 mg
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Description
ACY-738 (ACY738) is a potent and specific HDAC6 inhibitor (IC50=1.7 nM) with improved brain bioavailability; displays 60-1500 fold selectivity over class I HDACs.
CAS Number
1375465-91-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
270.2866
Molecular Formula
C14H14N4O2
Notes
Research use only, not for human use.
Receptor
HDAC6

Chemical Information

Acy-738
CAS Number1375465-91-0
PubChem CID57381425
IUPAC NameN-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide
Molecular FormulaC14H14N4O2
Molecular Weight270.29
XLogP1.1
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity345
SMILES
C1CC1(C2=CC=CC=C2)NC3=NC=C(C=N3)C(=O)NO
InChI
InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
InChIKey
LIIWIMDSZVNYHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acy-738
CAS: 1375465-91-0
CID: 57381425
Formula: C14H14N4O2
MW: 270.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.29
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass270.11167570
Monoisotopic Mass270.11167570
Topological Polar Surface Area87.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity345
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
GTR19163372-01ACY-738
A15934-50ACY-738 50mg
A15934-5ACY-738 5mg
A15934-2ACY-738 2mg
A15934-100ACY-738 100mg

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