Products for Research Use Only
RegisterLogin

HDAC-IN-46

CAT: 0931-T62514-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T62514-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2562386-85-8
Target
Apoptosis, Others, HDAC
Related Pathways
Chromatin/Epigenetic, Apoptosis, Others, DNA Damage/DNA Repair
Bioactivity
HDAC-IN-46 (compound 12c) is a potent inhibitor of HDAC, targeting HDAC1 (IC50: 0.21 μM) and HDAC6 (IC50: 0.021 μM) . It upregulates p-p38, downregulates Bcl-xL and cyclin D1 in MDA-MB-231 cells, blocks the cell cycle in the G2 phase, and induces apoptosis, making it useful for triple negative breast cancer (TNBC) studies.
Smiles
C(C)C=1C(C2=CC=C(C=C2)C3=CN(CCCCCCCC(NO)=O)N=N3)=C(N)N=C(N)N1
Molecular Formula
C22H30N8O2
Molecular Weight
438.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hdac-IN-46
CAS Number2562386-85-8
PubChem CID156011218
IUPAC Name8-[4-[4-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triazol-1-yl]-N-hydroxyoctanamide
Molecular FormulaC22H30N8O2
Molecular Weight438.5
XLogP2.2
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity560
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)C3=CN(N=N3)CCCCCCCC(=O)NO
InChI
InChI=1S/C22H30N8O2/c1-2-17-20(21(23)26-22(24)25-17)16-11-9-15(10-12-16)18-14-30(29-27-18)13-7-5-3-4-6-8-19(31)28-32/h9-12,14,32H,2-8,13H2,1H3,(H,28,31)(H4,23,24,25,26)
InChIKey
CGKUMULSZZUXMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac-IN-46
CAS: 2562386-85-8
CID: 156011218
Formula: C22H30N8O2
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass438.24917223
Monoisotopic Mass438.24917223
Topological Polar Surface Area158 Ų
Heavy Atom Count32
Formal Charge0
Complexity560
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

Related Products

CatalogName
T88688-01HDAC6-IN-46
T211349-01HDAC-IN-91
T210046-01HDAC-IN-75
T205411-01HDAC-IN-85
T203306-01HDAC-IN-82
T201210-01HDAC-IN-81
T200090-01HDAC-IN-76
T62072-01HDAC-IN-47
T72012-01HDAC-IN-6
T62649-01HDAC-IN-34

Alternative Products

CatalogName
HY-150597HDAC-IN-46
HY-115585HDAC-IN-2
HY-161688HDAC-IN-73
HY-161984HDAC-IN-76
HY-146153-01HDAC-IN-40
HY-149370HDAC-IN-60
HY-142965HDAC-IN-28
HY-147892HDAC-IN-42
HY-162487HDAC-IN-72
HY-128763-01HDAC-IN-4

Popular Products