WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H531394
CAS#: 1401089-31-3
Description: 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.
Hodoodo Cat#: H531394
Name: PACMA 31
CAS#: 1401089-31-3
Chemical Formula: C21H22N2O6S
Exact Mass: 430.12
Molecular Weight: 430.475
Elemental Analysis: C, 58.59; H, 5.15; N, 6.51; O, 22.30; S, 7.45
Synonym: PACMA 31; PACMA31; PACMA-31;
IUPAC/Chemical Name: N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
InChi Key: AHOOZADJPNUFOQ-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: O=C(OCC)CNC(C(C1=CC=CS1)N(C2=CC=C(OC)C=C2OC)C(C#C)=O)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| Soluble in DMSO | 0.0 | 100.00 |
The following data is based on the product molecular weight 430.48 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Krajewski D, Polukort SH, Gelzinis J, Rovatti J, Kaczenski E, Galinski C, Pantos M, Shah NN, Schneider SS, Kennedy DR, Mathias CB. Protein Disulfide Isomerases Regulate IgE-Mediated Mast Cell Responses and Their Inhibition Confers Protective Effects During Food Allergy. Front Immunol. 2020 Dec 22;11:606837. doi: 10.3389/fimmu.2020.606837. PMID: 33414789; PMCID: PMC7783394.
2: Young HS, McGowan LM, Jepson KA, Adams JC. Impairment of cell adhesion and migration by inhibition of protein disulphide isomerases in three breast cancer cell lines. Biosci Rep. 2020 Oct 30;40(10):BSR20193271. doi: 10.1042/BSR20193271. PMID: 33095243; PMCID: PMC7584814.
3: Popielarski M, Ponamarczuk H, Stasiak M, Watała C, Świątkowska M. Modifications of disulfide bonds in breast cancer cell migration and invasiveness. Am J Cancer Res. 2019 Aug 1;9(8):1554-1582. PMID: 31497343; PMCID: PMC6727000.
4: Won JK, Yu SJ, Hwang CY, Cho SH, Park SM, Kim K, Choi WM, Cho H, Cho EJ, Lee JH, Lee KB, Kim YJ, Suh KS, Jang JJ, Kim CY, Yoon JH, Cho KH. Protein disulfide isomerase inhibition synergistically enhances the efficacy of sorafenib for hepatocellular carcinoma. Hepatology. 2017 Sep;66(3):855-868. doi: 10.1002/hep.29237. Epub 2017 Jul 20. PMID: 28439950.
5: Vatolin S, Phillips JG, Jha BK, Govindgari S, Hu J, Grabowski D, Parker Y, Lindner DJ, Zhong F, Distelhorst CW, Smith MR, Cotta C, Xu Y, Chilakala S, Kuang RR, Tall S, Reu FJ. Novel Protein Disulfide Isomerase Inhibitor with Anticancer Activity in Multiple Myeloma. Cancer Res. 2016 Jun 1;76(11):3340-50. doi: 10.1158/0008-5472.CAN-15-3099. Epub 2016 Apr 6. PMID: 27197150.
6: Xu S, Butkevich AN, Yamada R, Zhou Y, Debnath B, Duncan R, Zandi E, Petasis NA, Neamati N. Discovery of an orally active small-molecule irreversible inhibitor of protein disulfide isomerase for ovarian cancer treatment. Proc Natl Acad Sci U S A. 2012 Oct 2;109(40):16348-53. doi: 10.1073/pnas.1205226109. Epub 2012 Sep 17. PMID: 22988091; PMCID: PMC3479552.
