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538765 PDI Inhibitor IV, LOC14 - Calbiochem

A brain permeant, orally available, reversible, non-covalent nanomolar inhibitor of PDI. Rescues PC12 cells & medium spiny neurons from mutant huntingtin neurotoxicity.

PDI Inhibitor IV, LOC14 - Calbiochem MSDS (material safety data sheet) or SDS, CoA and CoQ, dossiers, brochures and other available documents.

Synonyms: 2-((4-(Cyclopropanecarbonyl)piperazin-1-yl)methyl)benzo[d]isothiazol-3(2H)-one, 2-((4-(Cyclopropylcarbonyl)-1-piperazinyl)methyl)-1,2-benzothiazol-3(2H)-one, Lead Optimized Compound 14, Protein Disulfide Isomerase Inhibitor IV

Primary Target: PDI
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Overview

Replacement Information

Key Spec Table

Empirical Formula
C₁₆H₁₉N₃O₂S

Products

Catalogue NumberPackaging Qty/Pack
5.38765.0001 Glass bottle 25 mg
Description
OverviewA cell-permeable, blood brain barrier permeable, orally bioavailable, non-toxic benzothiazolone derived compound that acts a potent, reversible and non-covalent inhibitor of protein disulfide isomerase (PDI) reductase activity (Kd = 61.7 nM for PDIa). Shown to bind to PDIa stoichiometrically (1:1), adjacent to the active site, and enforce PDI to adopt an oxidized conformation. Dose-dependently rescues both PC12 cells (EC50 = 500 nM) and medium spiny neurons from mutant huntingtin neurotoxicity. Exhibits favorable microsomal (k = 0.0016, t1/2 = 438.7 min, CLint = 0.17 ml/min/g mouse liver) and blood plasma stability (k = 0.0049, t1/2 = 144 min and 49.9% remains after 2 h incubation) and is well tolerated in mice (20 mg/kg, p.o.).

Please note that the molecular weight for this compound is batch-specific due to variable water content. Please refer to the vial label or the certificate of analysis for the batch-specific molecular weight. The molecular weight provided represents the baseline molecular weight without water.
Catalogue Number538765
Brand Family Calbiochem®
Synonyms2-((4-(Cyclopropanecarbonyl)piperazin-1-yl)methyl)benzo[d]isothiazol-3(2H)-one, 2-((4-(Cyclopropylcarbonyl)-1-piperazinyl)methyl)-1,2-benzothiazol-3(2H)-one, Lead Optimized Compound 14, Protein Disulfide Isomerase Inhibitor IV
DescriptionPDI Inhibitor IV, LOC14
References
ReferencesKaplan, A., et al. 2015. Proc. Natl. Acad. Sci. USA 112, In press.
Product Information
FormWhite solid
Hill FormulaC₁₆H₁₉N₃O₂S
Chemical formulaC₁₆H₁₉N₃O₂S
ReversibleY
Quality LevelMQ100
Applications
Biological Information
Primary TargetPDI
Purity≥98% by HPLC
Physicochemical Information
Cell permeableY
Dimensions
Materials Information
Toxicological Information
Safety Information according to GHS
Safety Information
Product Usage Statements
Storage and Shipping Information
Ship Code Ambient Temperature Only
Toxicity Standard Handling
Storage +2°C to +8°C
Protect from Light Protect from light
Do not freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze (-70°C). Stock solutions are stable for up to 4 weeks at -70°C.
Packaging Information
Packaged under inert gas Packaged under inert gas
Transport Information
Supplemental Information
Specifications
Global Trade Item Number
Catalogue Number GTIN
5.38765.0001 04054839119644

Documentation

PDI Inhibitor IV, LOC14 - Calbiochem SDS

Title

Safety Data Sheet (SDS) 

References

Reference overview
Kaplan, A., et al. 2015. Proc. Natl. Acad. Sci. USA 112, In press.
Data Sheet

Note that this data sheet is not lot-specific and is representative of the current specifications for this product. Please consult the vial label and the certificate of analysis for information on specific lots. Also note that shipping conditions may differ from storage conditions.

Revision09-September-2016 JSW
Synonyms2-((4-(Cyclopropanecarbonyl)piperazin-1-yl)methyl)benzo[d]isothiazol-3(2H)-one, 2-((4-(Cyclopropylcarbonyl)-1-piperazinyl)methyl)-1,2-benzothiazol-3(2H)-one, Lead Optimized Compound 14, Protein Disulfide Isomerase Inhibitor IV
DescriptionA cell-permeable, blood brain barrier permeable, orally bioavailable, non-toxic benzothiazolone derived compound that acts a potent, reversible and non-covalent inhibitor of protein disulfide isomerase (PDI) reductase activity (Kd = 61.7 nM for PDIa). Shown to bind to PDIa stoichiometrically (1:1), adjacent to the active site, and enforce PDI to adopt an oxidized conformation. Dose-dependently rescues both PC12 cells (EC50 = 500 nM) and medium spiny neurons from mutant huntingtin neurotoxicity. Exhibits favorable microsomal (k = 0.0016, t1/2 = 438.7 min, CLint = 0.17 ml/min/g mouse liver) and blood plasma stability (k = 0.0049, t1/2 = 144 min and 49.9% remains after 2 h incubation) and is well tolerated in mice (20 mg/kg, p.o.).
FormWhite solid
Intert gas (Yes/No) Packaged under inert gas
Chemical formulaC₁₆H₁₉N₃O₂S
Purity≥98% by HPLC
SolubilityDMSO (25 mg/ml). Use only anhydrous DMSO for reconstitution.
Storage Protect from light
+2°C to +8°C
Do Not Freeze Ok to freeze
Special InstructionsFollowing reconstitution, aliquot and freeze (-70°C). Stock solutions are stable for up to 4 weeks at -70°C.
Toxicity Standard Handling
ReferencesKaplan, A., et al. 2015. Proc. Natl. Acad. Sci. USA 112, In press.