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Alexidine

CAT: 0013-GTR19185149-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185149-01Size:25 mg
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Description
Alexidine is a small molecule that acts as an antifungal and anti-biofilm agent. It functions by inhibiting the mitochondrial phosphatase PTPMT1, inducing mitochondrial apoptosis, which underpins its research applications in studying fungal pathogenesis and cancer biology in vitro.
CAS Number
22573-93-9
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
CCCCC (CC) CNC (=N) NC (=N) NCCCCCCNC (=N) NC (=N) NCC (CC) CCCC
Molecular Formula
C26H56N10
Molecular Weight
508.79
Storage Conditions
-20°C
Notes
For research use only.

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

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

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