Synonym: (3S)-N-Hydroxy-4-[[4-[(4-hydroxy-2-butyn-1-yl)oxy]phenyl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxamide; (3S)-N-Hydroxy-4-[[4-[(4-hydroxy-2-butynyl)oxy]phenyl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxamide; TMI 005; TMI-005
CAS Number: 287405-51-0
Empirical Formula (Hill Notation): C17H22N2O6S2
Molecular Weight: 414.50
MDL Number: MFCD13152357
Linear Formula: C17H22N2O6S2
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
white to beige |
| form |
powder |
| InChI |
1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1 |
| InChI key |
MAVDNGWEBZTACC-HNNXBMFYSA-N |
| Quality Level |
100  |
| SMILES string |
O=S(N1CCSC(C)(C)[C@@H]1C(NO)=O)(C2=CC=C(OCC#CCO)C=C2)=O |
| solubility |
DMSO: 20 mg/mL, clear |
| storage temp. |
2-8°C |
| Biochem/physiol Actions: |
Apratastat (TMI-005) is an orally active, potent and selective dual inhibitor of disintegrin metalloenzyme 17 (ADAM17/ TACE) and matrix metalloprotease (MMP). |
| General description: |
Apratastat is one of the thiomorpholine sulfonamide hydroxymate selective inhibitors of ADAM17 (a disintegrin and metalloproteinase). |
| Packaging: |
5, 25 mg in glass bottle |
| Symbol |
 GHS07 |
| Signal word |
Warning |
| Hazard statements |
H302 |
| Precautionary statements |
P301 + P312 + P330 |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
2-8°C |
| UNSPSC |
12352200 |
