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| 25mg |
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Purity: ≥98%
BTK IN-1 (SNS-062 analog or Vecabrutinib analog) is a novel and potent BTK (Bruton's tyrosine kinase) inhibitor with an IC50 of<100 nM. BTK IN-1 is an inhibitor of Bruton's tyrosine kinase that binds non-covalently and reversibly. Vecabrutinib (formerly SNS-062; FP-182, BSK-4841, and BIIB-062) is a novel, potent, reversible, and noncovalent BTK and ITK inhibitor with Kd values of 0.3 nM and 2.2 nM, respectively. For ITK, vecabrutinib exhibits an IC50 of 24 nM. BTK IN-1 is an analog of vecabrutinib. For SNS-062 to have inhibitory action, BTK C481 interaction is not necessary. Compared to ibrutinib, SNS-062 exhibits better PK characteristics, such as increased bioavailability and a longer half-life. SNS-062 might provide patients who have developed an ibrutinib resistance with an alternate course of treatment.
| Targets |
BTK (IC50 <100 nM)
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|---|---|
| ln Vitro |
BTK IN-1 (Compound 21) is a powerful BTK inhibitor with an IC50 of less than 100 nM.
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| References |
| Molecular Formula |
C19H21CLN6O
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|---|---|
| Molecular Weight |
384.8626
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| Exact Mass |
384.146
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| Elemental Analysis |
C, 59.30; H, 5.50; Cl, 9.21; N, 21.84; O, 4.16
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| CAS # |
1270014-40-8
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| Related CAS # |
1270014-40-8 (SNS062-analog);1510829-06-7; 1947403-49-7;
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| PubChem CID |
50924632
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.690
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| LogP |
2.93
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
509
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C([H])C([H])=C([H])C(=C1[H])N([H])C([H])([H])C(N([H])C1([H])C([H])([H])N(C2C3C([H])=C([H])N([H])C=3N=C([H])N=2)C([H])([H])C([H])([H])C1([H])[H])=O
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| InChi Key |
SPSNKQVUYDXOGY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H21ClN6O/c20-13-3-1-4-14(9-13)22-10-17(27)25-15-5-2-8-26(11-15)19-16-6-7-21-18(16)23-12-24-19/h1,3-4,6-7,9,12,15,22H,2,5,8,10-11H2,(H,25,27)(H,21,23,24)
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| Chemical Name |
2-(3-chloroanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
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| Synonyms |
Vecabrutinib analog; BTK IN-1; BTK-IN-1; BTK IN 1; SNS-062 analog; SNS062 analog; SNS 062analog.
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: ≥ 100 mg/mL (~259.8 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (7.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 30.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 3 mg/mL (7.80 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 30.0 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 | 2.5983 mL | 12.9917 mL | 25.9835 mL | |
| 5 mM | 0.5197 mL | 2.5983 mL | 5.1967 mL | |
| 10 mM | 0.2598 mL | 1.2992 mL | 2.5983 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.
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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