SML1543

Apratastat

≥98% (HPLC)

• Synonym(s): (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
• Empirical Formula (Hill Notation): C₁₇H₂₂N₂O₆S₂
• CAS Number: 287405-51-0
• Molecular Weight: 414.50
• MDL number: MFCD13152357
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825953
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 20 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: O=S(N1CCSC(C)(C)[C@@H]1C(NO)=O)(C2=CC=C(OCC#CCO)C=C2)=O
• 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

Description

General description

Apratastat is one of the thiomorpholine sulfonamide hydroxymate selective inhibitors of ADAM17 (a disintegrin and metalloproteinase).

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).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable