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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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538765
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Overview

Replacement Information

Key Spec Table

Empirical Formula
C₁₆H₁₉N₃O₂S

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      		 Glass bottle 25 mg
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      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
      5387650001 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.