| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
|
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| Other Sizes |
| Targets |
ALK2
|
|---|---|
| References | |
| Additional Infomation |
Zilurgisertib is an activin A receptor type 1 (activin receptor-like kinase 2; ALK2; ALK-2; ACVR1; ACTR-I) inhibitor with potential anti-anemic and ossification-inhibiting effects. After administration, zilurgisertib targets and binds to ALK-2, inhibiting its activity. This blocks ALK2-mediated signaling and ALK2-mediated excessive bone morphogenetic protein (BMP) signaling. This may inhibit ectopic ossification (HO). Since ALK-2 enhances the secretion of the hepatic peptide hormone hepcidin, a key regulator of iron homeostasis, zilurgisertib reduces hepcidin expression in the liver, thereby increasing and restoring plasma iron levels, enhancing erythropoiesis, and correcting anemia of chronic disease (ACD). ALK2 is a serine/threonine receptor kinase and a type I cell surface receptor for bone morphogenetic protein (BMP). In diseases such as inflammation, various cancers, and progressive fibrous ossifying dysplasia (FOP), ALK2 is persistently activated due to activating mutations. Elevated serum hepcidin levels promote iron storage and reduce iron utilization, leading to iron deficiency anemia.
|
| Molecular Formula |
C30H38N4O3
|
|---|---|
| Molecular Weight |
502.647727489471
|
| Exact Mass |
502.294
|
| CAS # |
2173389-57-4
|
| PubChem CID |
138628908
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
3.4
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
37
|
| Complexity |
844
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
O1CCC(CC1)N1C[C@H]2C[C@@]2(C2C=CC(C3C=NC(=C(C=3)C(NC34CCC(CC3)(CC4)O)=O)N)=CC=2)C1
|
| InChi Key |
KPRPFTOLWQQUAV-OCVAFRRMSA-N
|
| InChi Code |
InChI=1S/C30H38N4O3/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24/h1-4,15,17,23-24,36H,5-14,16,18-19H2,(H2,31,32)(H,33,35)/t23-,28?,29?,30+/m1/s1
|
| Chemical Name |
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
|
| 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 (In Vitro) |
DMSO: 100 mg/mL (198.95 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.97 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 25.0 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: ≥ 2.5 mg/mL (4.97 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9895 mL | 9.9473 mL | 19.8946 mL | |
| 5 mM | 0.3979 mL | 1.9895 mL | 3.9789 mL | |
| 10 mM | 0.1989 mL | 0.9947 mL | 1.9895 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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