Products for Research Use Only

STR-V-53

CAT: 0931-T87447-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T87447-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2798954-66-0
Target
HDAC
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Bioactivity
STR-V-53, an HDAC inhibitor (IC50 in nM), increases histone acetylation in tumor cells by inhibiting these enzymes, thereby regulating gene expression. STR-V-53 inhibits tumor growth and induces apoptosis [1].
Smiles
C(CCCCCC(NO)=O)N1C=C(C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)N=N1
Molecular Formula
C21H30N4O8
Molecular Weight
466.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-hydroxy-7-[4-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]triazol-1-yl]heptanamide
CAS Number2798954-66-0
PubChem CID164565072
IUPAC NameN-hydroxy-7-[4-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]triazol-1-yl]heptanamide
Molecular FormulaC21H30N4O8
Molecular Weight466.5
XLogP-0.5
Topological Polar Surface Area179
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity595
SMILES
C1=CC(=CC=C1C2=CN(N=N2)CCCCCCC(=O)NO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C21H30N4O8/c26-12-16-18(28)19(29)20(30)21(33-16)32-14-8-6-13(7-9-14)15-11-25(24-22-15)10-4-2-1-3-5-17(27)23-31/h6-9,11,16,18-21,26,28-31H,1-5,10,12H2,(H,23,27)/t16-,18-,19+,20-,21+/m1/s1
InChIKey
QEKXBUOEJPBOPV-RQXATKFSSA-N
Chemical Structure
2D Structure
2D structure of N-hydroxy-7-[4-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]triazol-1-yl]heptanamide
CAS: 2798954-66-0
CID: 164565072
Formula: C21H30N4O8
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP3-0.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass466.20636393
Monoisotopic Mass466.20636393
Topological Polar Surface Area179 Ų
Heavy Atom Count33
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes