[CAS NO. 1713240-67-5] Zegocractin
PRODUCTS SPECIFICATIONS [1713240-67-5]
DESCRIPTION [1713240-67-5]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 421.76 |
| Molecular Formula | C19H11ClF3N3O3 |
| SMILES | O=C(NC1=NC=C(C2=C(Cl)C=C(OC(F)(F)O3)C3=C2)N=C1)C4=C(C)C=CC=C4F |
2 Publications Citing Use of MCE
Summary
Zegocractin (CM-4620) is a calcium-release activated calcium-channel (CRAC channel) inhibitor, with IC 50 s of 119 nM and 895 nM for Orai1/STIM1 and Orai2/STIM1 channels , respectively [1] .
IC50 & Target
IC50: 119 nM (Orai 1/STIM1), 895 nM (Orai 1/STIM1) [1]
In Vitro
It is determined that Zegocractin (compound 1) inhibits Orai 1/STIM1 channels with an IC 50 of 119 nM, and Orai2/STIM1 channels with an IC 50 of 895 nM. It is more potent on Orai1 than Orai2-type CRAC channels. In human PBMCs, Zegocractin potently inhibits release of multiple cytokines which play important roles in T cells (IC 50 s, IFN γ: 138 nM, IL-4: 879 nM, IL-6: 135 nM, IL-1β: 240 nM, IL-10: 303 nM, TNFα: 225 nM, IL-2: 59 nM, IL-17 120 nM) [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Mouse PACs are treated with CRAC inhibitors Zegocractin or GSK-7975A and monitored for their rate of Calcium uptake. Both CRAC inhibitors reduce the rate of store-operated Calcium entry into the ER to 50% of controllevels upon treatment with 700 nM of inhibitor. Zegocractin blocks 100% of reuptake at 10 mM [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date | Phase |
|---|---|---|---|---|
| NCT04681066 | CalciMedica, Inc. |
Acute Pancreatitis|Systemic Inflammatory Response Syndrome
|
March 24, 2021 | Phase 2 |
| NCT03401190 | CalciMedica, Inc. |
Acute Pancreatitis|Systemic Inflammatory Response Syndrome
|
March 12, 2018 | Phase 2 |
| NCT04195347 | St. Jude Children´s Research Hospital|CalciMedica, Inc. |
Acute Pancreatitis
|
September 4, 2020 | Phase 1|Phase 2 |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : ≥ 100 mg/mL ( 237.10 mM )
* "≥" means soluble, but saturation unknown.
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.3710 mL | 11.8551 mL | 23.7102 mL |
| 5 mM | 0.4742 mL | 2.3710 mL | 4.7420 mL |
| 10 mM | 0.2371 mL | 1.1855 mL | 2.3710 mL |