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Pentamidine

CAT: 0931-T23133-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T23133-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100-33-4
Target
Antifungal, Parasite, Phosphatase, Antibacterial, Antibiotic
Related Pathways
Metabolism, Microbiology/Virology
Purity
0.9967
Bioactivity
Pentamidine is an antifungal and antiprotozoal agent, interacting directly with the pathogen genome by binding to AT-rich regions of duplex DNA and the minor groove of DNA, thereby interfering with DNA replication.
Smiles
C(=N)(N)C1=CC=C(OCCCCCOC2=CC=C(C(=N)N)C=C2)C=C1
Molecular Formula
C19H24N4O2
Molecular Weight
340.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentamidine

Pentamidine is a diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. It has a role as a calmodulin antagonist, a S100 calcium-binding protein B inhibitor, a xenobiotic, an antifungal agent, a trypanocidal drug, a NMDA receptor antagonist, a chemokine receptor 5 antagonist, an anti-inflammatory agent and an EC 2.3.1.48 (histone acetyltransferase) inhibitor. It is a carboxamidine, an aromatic ether and a diether. It is a conjugate base of a pentamidinium(2+).

CAS Number100-33-4
PubChem CID4735
IUPAC Name4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
Molecular FormulaC19H24N4O2
Molecular Weight340.4
XLogP2.6
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity376
SMILES
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKey
XDRYMKDFEDOLFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentamidine
CAS: 100-33-4
CID: 4735
Formula: C19H24N4O2
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass340.18992602
Monoisotopic Mass340.18992602
Topological Polar Surface Area118 Ų
Heavy Atom Count25
Formal Charge0
Complexity376
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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