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ONO-5334

CAT: 0931-T16394-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16394-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868273-90-9
Target
SARS-CoV, Cysteine Protease
Related Pathways
Proteases/Proteasome, Microbiology/Virology
Purity
>99.99%
Bioactivity
ONO-5334 is a selective, orally active and potent histone K inhibitor with anti-SAR-COV-2 and anti-bone resorption activity for the study of osteoporosis.
Smiles
C[C@@H]1CS\C(=N/NC(=O)C(=O)[C@@H](NC(=O)C2CCCCCC2)C2CCOCC2)N1C
Molecular Formula
C21H34N4O4S
Molecular Weight
438.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ono-5334

ONO-5334 is under investigation in clinical trial NCT00532337 (Controlled Study of ONO-5334 in Postmenopausal Women With Osteopenia or Osteoporosis).

CAS Number868273-90-9
PubChem CID11582982
IUPAC NameN-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide
Molecular FormulaC21H34N4O4S
Molecular Weight438.6
XLogP3.1
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity657
SMILES
C[C@@H]1CS/C(=N\NC(=O)C(=O)[C@H](C2CCOCC2)NC(=O)C3CCCCCC3)/N1C
InChI
InChI=1S/C21H34N4O4S/c1-14-13-30-21(25(14)2)24-23-20(28)18(26)17(15-9-11-29-12-10-15)22-19(27)16-7-5-3-4-6-8-16/h14-17H,3-13H2,1-2H3,(H,22,27)(H,23,28)/b24-21-/t14-,17+/m1/s1
InChIKey
BTZCSXIUAFVRTE-CHGLIHOBSA-N
Chemical Structure
2D Structure
2D structure of Ono-5334
CAS: 868273-90-9
CID: 11582982
Formula: C21H34N4O4S
MW: 438.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass438.23007675
Monoisotopic Mass438.23007675
Topological Polar Surface Area125 Ų
Heavy Atom Count30
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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