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Alexidine

CAT: 0931-T63500-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63500-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22573-93-9
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Alexidine is an antifungal and anti-biofilm agent against a variety of fungal pathogens. alexidine targets the mitochondrial tyrosine phosphatase PTPMT1 in mammalian cells, causing mitochondrial apoptosis and exhibiting antitumor effects.
Smiles
CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC
Molecular Formula
C26H56N10
Molecular Weight
508.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alexidine

Alexidine is an amphipathic bisbiguanide with a structure consisting of two (2-ethylhexyl)guanide units linked by a hexamethylene bridge. It has a role as an antibacterial agent.

CAS Number22573-93-9
PubChem CID2090
IUPAC Name1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine
Molecular FormulaC26H56N10
Molecular Weight508.8
XLogP4.3
Topological Polar Surface Area178
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Heavy Atom Count36
Formal Charge0
Complexity601
SMILES
CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N
InChI
InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)
InChIKey
LFVVNPBBFUSSHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alexidine
CAS: 22573-93-9
CID: 2090
Formula: C26H56N10
MW: 508.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.8
XLogP34.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Exact Mass508.46894183
Monoisotopic Mass508.46894183
Topological Polar Surface Area178 Ų
Heavy Atom Count36
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T126314-01Alexine

Alternative Products

CatalogName
HY-B1474Alexidine
HY-108547-01Alexidine (dihydrochloride)
sc-210775Alexidine dihydrochloride
HY-B1474S1-01Alexidine-d10

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