E1036

116-9e

≥98% (HPLC), powder

• Synonym(s): 116-9e, 4-[1,1′-Biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-1(2H)-pyrimidinehexanoic acid
• Empirical Formula (Hill Notation): C₃₁H₃₂N₂O₅
• CAS Number: 831217-43-7
• Molecular Weight: 512.60
• MDL number: MFCD18632539
• UNSPSC Code: 12352200
• PubChem Substance ID: 329798875
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• color: white to off-white
• solubility: DMSO: >20 mg/mL
• storage temp.: 2-8°C
• SMILES string: CC1=C(C(NC(=O)N1CCCCCC(O)=O)c2ccc(cc2)-c3ccccc3)C(=O)OCc4ccccc4
• InChI: 1S/C31H32N2O5/c1-22-28(30(36)38-21-23-11-5-2-6-12-23)29(32-31(37)33(22)20-10-4-9-15-27(34)35)26-18-16-25(17-19-26)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,29H,4,9-10,15,20-21H2,1H3,(H,32,37)(H,34,35)
• InChI key: GHFQWLNXJMUCGC-UHFFFAOYSA-N

Description

Application

116-9e has been used as an inhibitor of heat shock protein 70 (Hsp70) co-chaperone HDJ2 (human Ydj1/DNAJA1) to study the influence of HDJ2 on the regulation of ribonucleotide reductase (RNR) activity in HEK293 cells. It has also been used as an Hsp70 inhibitor to study the effect of Hsp70 chaperone on b5‐ops glycosylation in the side populations (SP) HeLa cells.

Biochem/physiol Actions

116-9e is a blocker of Hsp40-Hsp70 binding thereby inhibiting the chaperone activity of Hsp70-Hsp40. The Hsp40 family of co–chaperones binds to Hsp70 through a conserved J–domain. It is believed that 116-9e inhibits chaperone functions by preventing Hsp70–Hsp40 complex assembly.

The same compound by a different name, MAL2-11B, has been found to inhibit the activity of a viral J-domain protein, large tumor antigen (TAg). MAL2-11B inhibited both TAg′s endogenous ATPase activity and the TAg-mediated activation of Hsp70.

116-9e is a dihhydropyrimidine compound.

Safety Information

• Pictograms: GHS06,GHS09
• Signal Word: Danger
• Hazard Statements: H301 - H410
• Precautionary Statements: P273 - P301 + P310 + P330
• Hazard Classifications: Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable