Synonym
PDI inhibitor 16F16;
IUPAC/Chemical Name
2-(2-Chloroacetyl)-2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester
InChi Key
BCSIRYFYAKLJDK-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H17ClN2O3/c1-16(15(21)22-2)14-11(7-8-19(16)13(20)9-17)10-5-3-4-6-12(10)18-14/h3-6,18H,7-9H2,1-2H3
SMILES Code
O=C(C1(C)N(C(CCl)=O)CCC2=C1NC3=C2C=CC=C3)OC
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
320.77
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 |
1: Yu Y, Böing AN, Hau CM, Hajji N, Ruf W, Sturk A, Nieuwland R. Tissue Factor Coagulant Activity is Regulated by the Plasma Membrane Microenvironment. Thromb Haemost. 2018 Jun;118(6):990-1000. doi: 10.1055/s-0038-1642031. Epub 2018 Apr 21. PubMed PMID: 29679947.
2: Kim Y, Chang KO. Protein disulfide isomerases as potential therapeutic targets for influenza A and B viruses. Virus Res. 2018 Mar 2;247:26-33. doi: 10.1016/j.virusres.2018.01.010. Epub 2018 Jan 31. PubMed PMID: 29382552; PubMed Central PMCID: PMC5831498.
3: Foster CK, Thorpe C. Challenges in the evaluation of thiol-reactive inhibitors of human protein disulfide Isomerase. Free Radic Biol Med. 2017 Jul;108:741-749. doi: 10.1016/j.freeradbiomed.2017.04.367. Epub 2017 Apr 30. PubMed PMID: 28465261; PubMed Central PMCID: PMC5507595.
4: Langsjoen RM, Auguste AJ, Rossi SL, Roundy CM, Penate HN, Kastis M, Schnizlein MK, Le KC, Haller SL, Chen R, Watowich SJ, Weaver SC. Host oxidative folding pathways offer novel anti-chikungunya virus drug targets with broad spectrum potential. Antiviral Res. 2017 Jul;143:246-251. doi: 10.1016/j.antiviral.2017.04.014. Epub 2017 Apr 28. PubMed PMID: 28461071.
5: Goodale LF, Hayrabedran S, Todorova K, Roussev R, Ramu S, Stamatkin C, Coulam CB, Barnea ER, Gilbert RO. PreImplantation factor (PIF) protects cultured embryos against oxidative stress: relevance for recurrent pregnancy loss (RPL) therapy. Oncotarget. 2017 May 16;8(20):32419-32432. doi: 10.18632/oncotarget.16028. Erratum in: Oncotarget. 2018 Dec 18;9(99):37344. PubMed PMID: 28423690; PubMed Central PMCID: PMC5464799.
6: Aguilar-Hernández N, Meyer L, López S, DuBois RM, Arias CF. Protein Disulfide Isomerase A4 Is Involved in Genome Uncoating during Human Astrovirus Cell Entry. Viruses. 2020 Dec 31;13(1):53. doi: 10.3390/v13010053. PMID: 33396308; PMCID: PMC7824429.