Basic information
- CAS
50357-45-4- Standard SMILES
NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1.[Cl-].[Cl-]- InChIKey
HWURPQUPKQFGJI-UHFFFAOYSA-N- Molecular formula
- C19H26Cl2N4O2
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 412.1432815
Overview
See also: Pentamidine dihydrochloride (preferred).
Names & identifiers
- Preferred name
- 4,4'-Diamidino-1,5-diphenoxypentane dihydrochloride
- IUPAC
- [amino-[4-[5-[4-[amino(azaniumylidene)methyl]phenoxy]pentoxy]phenyl]methylidene]azanium dichloride
- English name
- PentaMidine-d4 2HCl
- Molecular formula
- C19H26Cl2N4O2
- Molecular weight
- 413.34134
Names & synonyms
4,4'-Diamidino-1,5-diphenoxypentane dihydrochloridePentamidine HCl4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide dihydrochlorideUNII-I0I0257YP1BENZAMIDINE, 4,4'-(PENTAMETHYLENEDIOXY)DI-, DIHYDROCHLORIDEBenzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy)bis-, dihydrochloridePENTAMIDINE DIHYDROCHLORIDE [MI][amino-[4-[5-[4-[amino(azaniumylidene)methyl]phenoxy]pentoxy]phenyl]methylidene]azanium;dichloride4,4'-(PENTAMETHYLENEDIOXY)DIBENZAMIDINE DIHYDROCHLORIDEBENZENECARBOXIMIDAMIDE, 4,4'-(1,5-PENTANEDIYLBIS(OXY))BIS-, DIHYDROCHLORIDEPentaMidine-d4 2HClMP601205 dihydrochloride
Show more names
PentaMidine (dihydrochloride)MP601205 DIHYDROCHLORIDEPENTAMIDINEPentamidine dihydrochloride, 10 mM in DMSO4,4'-[1,5-Pentanediylbis(oxy)]bisbenzenecarboximidamide] dihydrochlorideBenzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-, dihydrochloride (9CI)PTP1B,Pneumocystis,Parasite,Antibiotic,antitumor,Pentamidine,MP 601205,Inhibitor,Kidney,MP-601205,carinii,Bacterial,cell-cycle,pneumonia,MP601205,Phosphatase,inhibit,DNA,Pentamidine dihydrochloride,biosynthetics,Fungal,arrest
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 232 · 232-234°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mM · Soluble in DMSO > 10 mM
- form
- Powder
- FDA UNII
- 0 I0257YP1 · I0I0257YP1
- Toxicity
- 50 in · LD50 in mice (mg/g): 0.028 i.v.; 0.064 s.c. (Wein)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice (mg/g): 0.028 i.v.; 0.064 s.c. (Wein)
Chemistry & industry
Applications
UsesPentamidine dihydrochloride (MP-601205 dihydrochloride) is an antimicrobial agent and interferes with DNA biosynthetics. Pentamidine dihydrochloride inhibits parasite Leishmania infantum with an IC50 of 2.5 μM. Pentamidine dihydrochloride is a potent and selective protein tyrosine phosphatases (PTPases) and phosphatase of regenerating liver (PRL) inhibitor. Pentamidine dihydrochloride has the potential for Gambian trypanosomiasis, antimony-resistant leishmaniasis, and Pneumocystis carinii pneumonia treatment. Antitumor and antibacterial activities[1][2][3][4].
Suppliers22 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
天津普西唐生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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