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Bexin-1

CAT: 0013-GTR19209354-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209354-02Size:50 mg
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Description
Bexin-1 is a small molecule inhibitor that specifically blocks Munc13-4 membrane association by targeting its C2A domain, thereby suppressing calcium-triggered secretory processes like ANF-EGFP release. This tool compound is valuable for in vitro studies of lysosomal exocytosis, platelet secretion, and immune cell cytotoxicity.
CAS Number
1172933-44-6
Smiles
N (C (=O) C1=NN (CC) C (C) =C1) (CCCN (C) C) C2=NC=3C (S2) =C (Cl) C=CC3C
Molecular Formula
C20H26ClN5OS
Molecular Weight
419.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bexin-1
CAS Number1172933-44-6
PubChem CID25855609
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-3-carboxamide
Molecular FormulaC20H26ClN5OS
Molecular Weight420.0
XLogP4.5
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity539
SMILES
CCN1C(=CC(=N1)C(=O)N(CCCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)C)C
InChI
InChI=1S/C20H26ClN5OS/c1-6-26-14(3)12-16(23-26)19(27)25(11-7-10-24(4)5)20-22-17-13(2)8-9-15(21)18(17)28-20/h8-9,12H,6-7,10-11H2,1-5H3
InChIKey
INTGHFLZCSZDBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bexin-1
CAS: 1172933-44-6
CID: 25855609
Formula: C20H26ClN5OS
MW: 420.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.0
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass419.1546593
Monoisotopic Mass419.1546593
Topological Polar Surface Area82.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity539
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

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