JHU-083 25mg

Chemical Information
JHU083 is an ethyl ester resulting from the formal condensation of the carboxy group of L-leucyl-6-diazo-5-oxo-L-norleucine with ethanol. It is a glutaminase inhibitor and a prodrug of 6-diazo-5-oxo-L-norleucine that exhibits antineoplastic activity. It has a role as an antineoplastic agent, a prodrug and an EC 3.5.1.2 (glutaminase) inhibitor. It is a secondary carboxamide, a ketone, an ethyl ester, a L-leucine derivative and a diazo compound.
| CAS Number | 1998725-11-3 |
| PubChem CID | 137283416 |
| IUPAC Name | ethyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-6-diazo-5-oxohexanoate |
| Molecular Formula | C14H24N4O4 |
| Molecular Weight | 312.36 |
| XLogP | 0.7 |
| Topological Polar Surface Area | 100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 444 |
| Property | Value |
|---|---|
| Molecular Weight | 312.36 |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 312.17975526 |
| Monoisotopic Mass | 312.17975526 |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 444 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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