125901-98-6

Basic information

• Product Name: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide
• Synonyms: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide
• CAS NO: 125901-98-6
• Molecular Formula: C₁₉H₂₂N₆O₆
• Molecular Weight: 430.41458
• Mol File: 125901-98-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 665°C at 760 mmHg
• Flash Point: 356°C
• Appearance: /
• Density: 1.47g/cm³
• Vapor Pressure: 1.49E-17mmHg at 25°C
• Refractive Index: 1.652
• CAS DataBase Reference: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide(125901-98-6)
• EPA Substance Registry System: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide(125901-98-6)

Safety Data

• Hazardous Substances Data: 125901-98-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C19H22N6O6/c20-18(21)12-4-6-16(14(10-12)24(26)27)30-8-2-1-3-9-31-17-7-5-13(19(22)23)11-15(17)25(28)29/h4-7,10-11H,1-3,8-9H2,(H3,20,21)(H3,22,23)

Upstream product

• 7467-71-2 4,4′-(pentane-1,5-diylbis(oxy))dibenzonitrile 
• 111-24-0 1,5-dibromo-pentane 

Relevant articles and documents

Analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine) in the treatment of experimental Pneumocystis carinii pneumonia

A series of 33 analogues of the anti-Pneumocystis carinii drug 1,5-bis(4-amidinophenoxy)pentane (pentamidine) was synthesized for screening against a rat model of P. carinii pneumonia (PCP). Twenty-five of the compounds showed efficacy against PCP when compared to a saline-treated control group. Two compounds, 1,4-bis(4-amidinophenoxy)butane (butamidine, 6) and 1,3-bis(4-amidino-2-methoxyphenoxy)propane (DAMP, 16), were statistically more effective than the parent drug in treating PCP in the rat model of infection. In addition to their activity against PCP, the compounds were also evaluated for antitrypsin activity, ability to inhibit thymidylate synthetase, affinity for DNA, and toxicity. No correlation was observed between the tested molecular interactions of the diamidines and their effectiveness against PCP.