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EMAC10101d

Alias: EMAC-10101dEMAC10101d EMAC 10101d
Cat No.:V2261 Purity: ≥98%
EMAC10101dbearing a 2,4-dichorophenyl substituent in position 4 of the dihydrothiazole ring,is a novel, potent and selective inhibitor of Carbonic Anhydrase Isoform toward hCA II
EMAC10101d
EMAC10101d Chemical Structure CAS No.: 2561476-24-0
Product category: Carbonic Anhydrase
This product is for research use only, not for human use. We do not sell to patients.
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Product Description

EMAC10101d bearing a 2,4-dichorophenyl substituent in position 4 of the dihydrothiazole ring, is a novel, potent and selective inhibitor of Carbonic Anhydrase Isoform toward hCA II

Biological Activity I Assay Protocols (From Reference)
ln Vitro
For hCA I, hCA II, hCA IX, and hCA XII, the Ki values of EMAC10101d are, in that order, 9627.4 nM, 8.1 nM, 224.6 nM, and 154.9 nM [1].
References

[1]. New Dihydrothiazole Benzensulfonamides: Looking for Selectivity toward Carbonic Anhydrase Isoforms I, II, IX, and XII. ACS Med Chem Lett. 2020 Feb 13;11(5):852-856.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C17H15CL2N3O2S2
Molecular Weight
280.708
Exact Mass
426.998
Elemental Analysis
C, 47.67; H, 3.53; Cl, 16.55; N, 9.81; O, 7.47; S, 14.97
CAS #
2561476-24-0
PubChem CID
155817800
Appearance
White to off-white solid powder
Density
1.5±0.1 g/cm3
Boiling Point
614.5±65.0 °C at 760 mmHg
Flash Point
325.4±34.3 °C
Vapour Pressure
0.0±1.8 mmHg at 25°C
Index of Refraction
1.687
LogP
4.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Heavy Atom Count
26
Complexity
670
Defined Atom Stereocenter Count
0
SMILES
ClC1C=C(C=CC=1C1=CS/C(=N\C2C=CC(=CC=2)S(N)(=O)=O)/N1CC)Cl
InChi Key
OEGLVUQKHJHUEU-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H15Cl2N3O2S2/c1-2-22-16(14-8-3-11(18)9-15(14)19)10-25-17(22)21-12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24)
Chemical Name
(Z)-4-((4-(2,4-dichlorophenyl)-3-ethylthiazol-2(3H)-ylidene)amino)benzenesulfonamide
Synonyms
EMAC-10101dEMAC10101d EMAC 10101d
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 : ~62.5 mg/mL (~145.91 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.86 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 3.5624 mL 17.8120 mL 35.6240 mL
5 mM 0.7125 mL 3.5624 mL 7.1248 mL
10 mM 0.3562 mL 1.7812 mL 3.5624 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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An example of molarity calculation using the molarity calculator is shown below:
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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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