C0619

III-31-C

≥98% (HPLC), solid

• Synonym(s): N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-L-valine methyl ester, WPE-III-31-C
• Empirical Formula (Hill Notation): C₃₅H₅₂N₄O₇
• CAS Number: 398515-96-3
• Molecular Weight: 640.81
• UNSPSC Code: 12352200
• PubChem Substance ID: 329774807
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: solid
• storage condition: desiccated
• solubility: DMSO: ≥9 mg/mL
• storage temp.: −20°C
• SMILES string: COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(C)C
• InChI: 1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30?/m0/s1
• InChI key: DINAVFJXFRFCRE-BLFWRVEASA-N

Description

Biochem/physiol Actions

III-31-C is a (hydroxyethyl)urea γ-secretase inhibitor that binds to γ-secretase at the substrate docking site. DAPT, also a γ-secretase inhibitor binds to the substrate docking site as well. III-31-C is useful for the affinity isolation and characterization of the protease complex and for testing other ihhibitors that affect the γ-secretase active site. The γ-secretase complex is composed of presenilin as a catalytic component and three integral membrane proteins, nicastrin, Aph-1 and Pen-2.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves