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Pentamidine

CAT: 0013-GTR19173949-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173949-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pentamidine is an antifungal and antiprotozoal agent that binds the minor groove of AT-rich duplex DNA, inhibiting replication. It is widely used in research for studying trypanosomiasis, Pneumocystis pneumonia, and other infections in both in vitro and in vivo experimental models.
CAS Number
100-33-4
Product Name Alternative
Bacterial, arrest, Antibiotic, antitumor, antifungal, carinii, biosynthetics, cell-cycle, DNA, MP601205, MP-601205, MP 601205, Kidney, inhibit, Parasite, Fungal, Inhibitor, PTP1B, Pneumocystis, pneumonia, Pentamidine, Phosphatase
Field of Research
Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery
Purity
98.13% (May vary between batches)
Solubility
DMSO:Slightly soluble
Smiles
C (=N) (N) C1=CC=C (OCCCCCOC2=CC=C (C (=N) N) C=C2) C=C1
Molecular Formula
C19H24N4O2
Molecular Weight
340.42
Storage Conditions
-20°C
Notes
For research use only.

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Pentamidine is a diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups.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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