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SAHA chloroalkane T1

Cat No.:V32495 Purity: ≥98%
SAHA chloroalkane T1 is a capture label conjugated by Vorinostat (SAHA) and a chloroalkane T1 chain.
SAHA chloroalkane T1
SAHA chloroalkane T1 Chemical Structure CAS No.: 1613617-05-2
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
100mg
Other Sizes
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Product Description
SAHA chloroalkane T1 is a capture label conjugated by Vorinostat (SAHA) and a chloroalkane T1 chain.
SAHA chloroalkane T1 (CAS#: 1613617-05-2) is a chloroalkane capture tag formed by tethering Vorinostat (SAHA, suberoylanilide hydroxamic acid) to a chloroalkane tag T1. This compound is designed as a capture label for studying histone deacetylase (HDAC) interactions and target engagement. The molecular weight is 719.27 with formula C33H₅₅ClN4O11. SAHA chloroalkane T1 retains the HDAC inhibitory activity of SAHA.
Biological Activity I Assay Protocols (From Reference)
Targets
SAHA chloroalkane T1 targets histone deacetylases (HDACs) through the SAHA moiety. SAHA is a well-known pan-HDAC inhibitor, and the chloroalkane T1 tag enables capture and detection of HDAC targets. The compound minimally affects the efficacy of SAHA in target cells, allowing binding interactions with targets to occur under conditions relevant to the desired cellular phenotype.
ln Vitro
SAHA Chlorane T1 has minimal impact on the efficacy of SAHA in K-562 cells, allowing binding interactions with targets to occur under conditions appropriate to the desired cell phenotype [1].
SAHA chloroalkane T1 shows minimal impact on the efficacy of SAHA in K-562 cells. The compound retains HDAC inhibitory activity while incorporating the chloroalkane capture tag. This allows binding interactions with targets to occur under conditions relevant to the desired cellular phenotype. The compound enables study of HDAC target engagement and interactions.
ln Vivo
In vivo data for SAHA chloroalkane T1 is limited, as the compound is primarily used as a research tool for studying HDAC interactions in cellular systems. The compound is designed for target engagement studies rather than therapeutic applications. Further in vivo studies would be required to assess systemic activity. The compound's utility lies in its ability to capture and identify HDAC targets in cellular contexts.
Enzyme Assay
In vitro target engagement assays for SAHA chloroalkane T1 involve incubating cell lysates or intact cells with the compound to allow covalent capture of HDAC targets through the chloroalkane tag. Captured proteins are then isolated using chloroalkane-containing beads or affinity purification, followed by identification via mass spectrometry or Western blotting. The SAHA moiety ensures specific targeting of HDACs.
Cell Assay
Cellular assays for SAHA chloroalkane T1 involve treating K-562 or other cell lines with varying concentrations of the compound. Cells are incubated for 4-24 hours, and target engagement is assessed by capture and detection of HDAC proteins. The compound minimally affects SAHA potency in cells, enabling studies under conditions relevant to the desired cellular phenotype. Western blotting or mass spectrometry is used for analysis.
Animal Protocol
In vivo animal studies for SAHA chloroalkane T1 have not been extensively reported. As a capture tag reagent primarily used for in vitro target engagement studies, the compound would typically be evaluated in cell-based systems rather than whole animals. If used in vivo, standard protocols would involve administration followed by tissue collection and capture of HDAC targets. The compound is for research use only.
ADME/Pharmacokinetics
Pharmacokinetic data for SAHA chloroalkane T1 is not well-documented. As a research reagent for target engagement studies, the compound is primarily used in cell-based assays. The molecular weight of 719.27 suggests moderate lipophilicity. PK parameters would typically be determined through standard studies if the compound were to be used in vivo. The compound is typically stored at -20degC.
Toxicity/Toxicokinetics
Toxicological data for SAHA chloroalkane T1 is limited. As a research reagent containing a chloroalkane tag, standard safety precautions should be observed during handling including appropriate PPE and work in a fume hood. The compound is for research use only and not intended for therapeutic applications. Comprehensive toxicology studies are not publicly available.
References

[1]. Deciphering the Cellular Targets of Bioactive Compounds Using a Chloroalkane Capture Tag. ACS Chem Biol. 2015 Oct 16;10(10):2316-24.

Additional Infomation
SAHA chloroalkane T1 (CAS# 1613617-05-2) is a chloroalkane capture tag formed by tethering Vorinostat (SAHA) to a chloroalkane tag T1. It is used as a research tool for studying HDAC interactions and target engagement. The compound minimally affects SAHA potency in K-562 cells. It enables binding interactions with targets to occur under conditions relevant to the desired cellular phenotype. The compound is not approved for clinical use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C33H55CLN4O11
Molecular Weight
719.263009309769
Exact Mass
718.355
CAS #
1613617-05-2
PubChem CID
86274259
Appearance
White to off-white solid powder
LogP
2.3
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
33
Heavy Atom Count
49
Complexity
852
Defined Atom Stereocenter Count
0
SMILES
C1=CC(=CC=C1CNC(=O)OCCOCCOCCOC(=O)NCCOCCOCCCCCCCl)NC(=O)CCCCCCC(=O)NO
InChi Key
QJTGTGYXESVKJU-UHFFFAOYSA-N
InChi Code
InChI=1S/C33H55ClN4O11/c34-15-7-3-4-8-17-44-19-20-45-18-16-35-32(41)48-25-23-46-21-22-47-24-26-49-33(42)36-27-28-11-13-29(14-12-28)37-30(39)9-5-1-2-6-10-31(40)38-43/h11-14,43H,1-10,15-27H2,(H,35,41)(H,36,42)(H,37,39)(H,38,40)
Chemical Name
2-[2-[2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylcarbamoyloxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~125 mg/mL (~173.79 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.89 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.3903 mL 6.9516 mL 13.9032 mL
5 mM 0.2781 mL 1.3903 mL 2.7806 mL
10 mM 0.1390 mL 0.6952 mL 1.3903 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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