Ureidovaline
CAS No.:
154212-61-0
M. Wt:
313.416
M. Fa:
C14H23N3O3S
InChI Key:
OSQWRZICKAOBFA-NSHDSACASA-N
Appearance:
White Solid
Names and Identifiers of Ureidovaline
CAS Number |
154212-61-0 |
|---|---|
EC Number |
680-588-9 |
MDL Number |
MFCD07369527 |
IUPAC Name |
(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic acid |
InChI |
InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m0/s1 |
InChIKey |
OSQWRZICKAOBFA-NSHDSACASA-N |
Canonical SMILES |
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)O |
Isomeric SMILES |
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)O |
UNII |
10433TZP2U |
UNSPSC Code |
12352100 |
Physical and chemical properties of Ureidovaline
Acidity coefficient |
4.39±0.10(Predicted) |
|---|---|
Boiling Point |
532.6±40.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
313.146027 |
Flash Point |
275.9±27.3 °C |
Index of Refraction |
1.545 |
LogP |
1.88 |
Molecular Formula |
C14H23N3O3S |
Molecular Weight |
313.416 |
PSA |
110.77000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±1.5 mmHg at 25°C |
Safety Information of Ureidovaline
Applications of Ureidovaline
Ureidovaline has several applications:
- Pharmaceuticals: Its role as a precursor to proteasome inhibitors makes it valuable in drug development for cancer treatment.
- Agriculture: Compounds derived from ureidovaline may have applications in developing herbicides or pesticides due to their biological activity.
- Biochemistry Research: Ureidovaline serves as an important model compound for studying ureido-bond formation and related biochemical processes.
Interaction Studies of Ureidovaline
Studies on the interactions of ureidovaline with various biological molecules have shown its potential to influence proteasome activity through derivatives like syringolin. The compound's interactions with enzymes involved in protein degradation pathways are particularly noteworthy, as they can provide insights into therapeutic targets for diseases characterized by dysregulated proteolysis.
Physical sample testing spectrum (NMR) of Ureidovaline
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