Zegocractin
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555736

CAS#: 1713240-67-5

Description: Zegocractin, also known as CM4620, is a selective Orai1 inhibitor, prevents Ca2+ entry in acinar cells. The intravenous administration of CM4620 reduces the severity of acute pancreatitis in the rat, a hitherto untested species. SOCE via STIM1/Orai complexes promotes activation and fibroinflammatory gene expression within pancreatic stellate cells. CM4620 also decreased myeloperoxidase activity and inflammatory cytokine expression in pancreas and lung tissues, fMLF peptide-induced oxidative burst in human neutrophils, and cytokine production in human peripheral blood mononuclear cells (PBMCs) and rodent PaSCs, indicating that Orai1/STIM1 channels participate in the inflammatory responses of these cell types during acute pancreatitis.


Chemical Structure

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Zegocractin
CAS# 1713240-67-5

Theoretical Analysis

MedKoo Cat#: 555736
Name: Zegocractin
CAS#: 1713240-67-5
Chemical Formula: C19H11ClF3N3O3
Exact Mass: 421.0441
Molecular Weight: 421.7602
Elemental Analysis: C, 54.11; H, 2.63; Cl, 8.41; F, 13.51; N, 9.96; O, 11.38

Price and Availability

Size Price Availability Quantity
10.0mg USD 250.0 2 Weeks
25.0mg USD 450.0 2 Weeks
50.0mg USD 750.0 2 Weeks
100.0mg USD 1350.0 2 Weeks
200.0mg USD 2250.0 2 Weeks
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Synonym: CM-4620; CM 4620; CM4620; Zegocractin

IUPAC/Chemical Name: N-(5-(6-chloro-2,2-difluorobenzo[d][1,3]dioxol-5-yl)pyrazin-2-yl)-2-fluoro-6-methylbenzamide

InChi Key: QQMKTHUGOQDEIL-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27)

SMILES Code: O=C(NC1=NC=C(C2=C(Cl)C=C(OC(F)(F)O3)C3=C2)N=C1)C4=C(C)C=CC=C4F

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 421.7602 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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Waldron RT, Chen Y, Pham H, et al. The Orai Ca2+ channel inhibitor CM4620 targets both parenchymal and immune cells to reduce inflammation in experimental acute pancreatitis. J Physiol. 2019;597(12):3085–3105. doi:10.1113/JP277856