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BTK inhibitor 10

Cat No.:V37768 Purity: ≥98%
BTK inhibitor 10 is a potent orally bioactive Bruton kinase (BTK) inhibitor, disclosed in patent WO2018145525, Example 33.
BTK inhibitor 10
BTK inhibitor 10 Chemical Structure CAS No.: 2241732-30-7
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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1mg
5mg
10mg
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Product Description
BTK inhibitor 10 is a potent orally bioactive Bruton kinase (BTK) inhibitor, disclosed in patent WO2018145525, Example 33. BTK inhibitor 10 may be used to be used in rheumatoid arthritis research.
Biological Activity I Assay Protocols (From Reference)
ln Vivo
In CIA mice, BTK inhibitor 10 (oral gavage; 30 mg/kg; once daily; 21 days) markedly reduced arthritic symptoms. Each of the mouse's four paws received a score ranging from 0 to 4, and the overall score for the limb was determined. In contrast to a control group score of 8.33, BTK030 decreased arthritis scores to 3.62 after 21 days of oral therapy [1].
Animal Protocol
Animal/Disease Models: DBA/1J mice injected with collagen as CIA model [1]
Doses: 30 mg/kg
Route of Administration: po (oral gavage); 21 days; one time/day
Experimental Results: Compared with the control group, arthritis scores were Dramatically higher reduce.
References

[1]. Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof. Patent WO2018145525.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C25H23N5O3
Molecular Weight
441.481825113297
Exact Mass
441.18
CAS #
2241732-30-7
PubChem CID
134827871
Appearance
Off-white to light yellow solid powder
LogP
3.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Heavy Atom Count
33
Complexity
664
Defined Atom Stereocenter Count
0
SMILES
O1CCN(C2C=CC(=CC=2)C2=CC3=C(N=CN=C3N2)OC2C=CC=C(C=2)NC(C=C)=O)CC1
InChi Key
KLSYFSMLPFKXDQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H23N5O3/c1-2-23(31)28-18-4-3-5-20(14-18)33-25-21-15-22(29-24(21)26-16-27-25)17-6-8-19(9-7-17)30-10-12-32-13-11-30/h2-9,14-16H,1,10-13H2,(H,28,31)(H,26,27,29)
Chemical Name
N-[3-[[6-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
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

Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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 : ~50 mg/mL (~113.26 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.66 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 25.0 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 2.2651 mL 11.3255 mL 22.6511 mL
5 mM 0.4530 mL 2.2651 mL 4.5302 mL
10 mM 0.2265 mL 1.1326 mL 2.2651 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.

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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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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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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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