Basic information
- CAS
186953-56-0- Standard SMILES
CON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOC)cc3)o2)cc1- InChIKey
UKOQVLAXCBRRGH-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.15354051
Overview
Pafuramidine, a prodrug of furamidine, currently has orphan status for Pneumocystis jiroveci pneumonia.
Names & identifiers
- Preferred name
- 2,5-Bis(4-amidinophenyl)furan-bis-O-methylamidoxime; 4,4'-(2,5-Furandiyl)bis[N-methoxybenzenecarboximidamide]; 4,4'-(2,5-Furandiyl)bis[N-methoxybenzenecarboximidamide
- IUPAC
- N'-methoxy-4-[5-[4-(N'-methoxycarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
- English name
- PAFURAMIDINE
- Molecular formula
- C20H20N4O3
- Molecular weight
- 364.4
Names & synonyms
2,5-Bis(4-amidinophenyl)furan-bis-O-methylamidoxime; 4,4'-(2,5-Furandiyl)bis[N-methoxybenzenecarboximidamide]; 4,4'-(2,5-Furandiyl)bis[N-methoxybenzenecarboximidamide4,4'-(Furan-2,5-diyl)bis(N-methoxybenzimidamide)orb1706849SCHEMBL5143735SCHEMBL14599558DTXSID10870377CID 4599634,4'-(Furan-2,5-diyl)bis(N'-methoxybenzene-1-carboximidamide)N'-methoxy-4-[5-[4-(N'-methoxycarbamimidoyl)phenyl]-2-furyl]benzamidineDB289PAFURAMIDINEUnii-H1vg379J2x
Show more names
4,4'-(2,5-Furandiyl)bis[N-methoxybenzenecarboximidamide]BenzenecarboxiMidaMide,4,4'-(2,5-furandiyl)bis[N-Methoxy-
Database identifiers
- CAS
186953-56-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Melting point
- 192.5 · 192.5-193 ºC
- Boiling point
- 457.7 · 457.7±55.0 °C(Predicted)
- Density
- 1.25 · 1.25
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 6.01 · 6.01±0.50(Predicted)
- form
- Solid
- color
- Pale Yellow to Light Yellow
- InChI
- InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)
- InChIKey
- UKOQVLAXCBRRGH-UHFFFAOYSA-N
- SMILES
- O1C(C2=CC=C(C(NOC)=N)C=C2)=CC=C1C1=CC=C(C(NOC)=N)C=C1
- FDA UNII
- 1 VG379J2X · H1VG379J2X
Chemistry & industry
Applications
UsesTreatment of malaria, African sleeping sickness, and pneumocystis pneumonia.
UsesPafuramidine is a prodrug of Furamidine (F863600, 2HCl); a diphenylfuran compound belonging to an important class of antimicrobial and antiparasitic agents. Furamidine and its analogues also display antitumor activities and showed antiproliferative activities against various tumor cell lines.
Suppliers35 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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