SML0838

PACMA 31

≥98% (HPLC)

• Synonym(s): N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
• Empirical Formula (Hill Notation): C₂₁H₂₂N₂O₆S
• CAS Number: 1401089-31-3
• Molecular Weight: 430.47
• MDL number: MFCD26793891
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825605

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to light brown
• solubility: DMSO: 10 mg/mL, clear (warmed)
• storage temp.: room temp
• SMILES string: C#CC(N(C(C1=CC=CS1)C(NCC(OCC)=O)=O)C2=CC=C(OC)C=C2OC)=O
• InChI: 1S/C21H22N2O6S/c1-5-18(24)23(15-10-9-14(27-3)12-16(15)28-4)20(17-8-7-11-30-17)21(26)22-13-19(25)29-6-2/h1,7-12,20H,6,13H2,2-4H3,(H,22,26)
• InChI key: AHOOZADJPNUFOQ-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Both in vivo and in vitro studies reveal that PACMA 31 possesses anti-tumor function, especially observed in ovarian cancer.

PACMA 31 is an orally bioavailable, selective inhibitor (IC₅₀ = 10 μM) of protein disulfide isomerase (PDI), an endoplasmic reticulum protein that regulates oxidative protein folding by catalyzing the breakage and reformation of disulfide bonds. PDI is upregulated in ovarian, and several other cancers. PACMA 31 dose dependently inhibits proliferation of OVCAR-8 in culture and in a tumor xenograft model.

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301
• pcodes: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable