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JHU-083 1mg

CAT: 0628-A18619-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A18619-1Size:1 mg
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CAS Number
1998725-11-3

Chemical Information

ethyl (2S)-2-(((2S)-2-amino-4-methylpentanoyl)amino)-6-diazo-5-oxohexanoate

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 Number1998725-11-3
PubChem CID137283416
IUPAC Nameethyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-6-diazo-5-oxohexanoate
Molecular FormulaC14H24N4O4
Molecular Weight312.36
XLogP0.7
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity444
SMILES
CCOC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C14H24N4O4/c1-4-22-14(21)12(6-5-10(19)8-17-16)18-13(20)11(15)7-9(2)3/h8-9,11-12H,4-7,15H2,1-3H3,(H,18,20)/t11-,12-/m0/s1
InChIKey
YZRCHOFKIPHQBW-RYUDHWBXSA-N
Chemical Structure
2D Structure
2D structure of ethyl (2S)-2-(((2S)-2-amino-4-methylpentanoyl)amino)-6-diazo-5-oxohexanoate
CAS: 1998725-11-3
CID: 137283416
Formula: C14H24N4O4
MW: 312.36
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.36
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass312.17975526
Monoisotopic Mass312.17975526
Topological Polar Surface Area100 Ų
Heavy Atom Count22
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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