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CM4620

CAT: 0013-GTR19155941-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155941-03Size:1 g
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Description
CM4620 is a calcium-release activated calcium-channel (CRAC channel) inhibitor.
CAS Number
1713240-67-5
Product Name Alternative
N- (5- (6-Chloro-2,2-difluorobenzo[d][1,3]dioxol-5-yl) pyrazin-2-yl) -2-fluoro-6-methylbenzamide
Purity
>98% (HPLC)
Solubility
DMSO: 100 mg/mL (237.10 mM) ; Water: Insoluble
Smiles
Cc1cccc (F) c1C (Nc (nc1) cnc1-c (cc (c (O1) c2) OC1 (F) F) c2Cl) =O
Molecular Formula
C19H11ClF3N3O3
Molecular Weight
421.76
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Zegocractin

CM4620 (Zegocractin), is under investigation in multiple clinical trials, including NCT04195347 (pancreatitis due to asparaginase), NCT03709342 (PK/PD study in acute pancreatitis), NCT03401190 and NCT04681066 (pancreatitis and SIRS), and NCT04661540 (critical COVID-19 pneumonia).

CAS Number1713240-67-5
PubChem CID122507647
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide
Molecular FormulaC19H11ClF3N3O3
Molecular Weight421.8
XLogP4.3
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
CC1=C(C(=CC=C1)F)C(=O)NC2=NC=C(N=C2)C3=CC4=C(C=C3Cl)OC(O4)(F)F
InChI
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)
InChIKey
QQMKTHUGOQDEIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zegocractin
CAS: 1713240-67-5
CID: 122507647
Formula: C19H11ClF3N3O3
MW: 421.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.8
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass421.0441034
Monoisotopic Mass421.0441034
Topological Polar Surface Area73.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M23772-01CM4620

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