HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phenformin
PHENFORMIN HCL · phenethylbiguanide · N-Phenethylbiguanide · Phenformine · w32 · Pedg · W 32 · Dipar
Identifikatoren & physikalische Daten
| CAS No. | 114-86-3 |
|---|---|
| Summenformel | C10H15N5 |
| Durchschnittliche Molmasse | 205,26 g/mol |
| Monoisotopische Masse | 205,1327455 g/mol |
| SMILES | NC(N)=NC(N)=NCCc1ccccc1 |
| InChIKey | ICFJFFQQTFMIBG-UHFFFAOYSA-N |
| PubChem CID | 8249 |
| ChEMBL | CHEMBL170988 |
| ChEBI | CHEBI:8064 |
| EC No. | 204-057-4 |
| DTXSID | DTXSID1023449 |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 103 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 236 |
| Arzneimittel | PharmaceuticalPharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | log Kow= -0.830.1 |
| Löslichkeit | Crystals from isopropanolpH (0.1 Molar aq soln): 6.7MP 175-178 °CSol in water /Hydrochloride/2.32e-01 g/L |
| Schmelzpunkt | 175 - 178 °C176.5 °C |
| Physical Description | Solid |
| Collision Cross Section | 145.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID0021121]146.7 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | WHITE OR PRACTICALLY WHITE, CRYSTALLINE POWDER /HYDROCHLORIDE/ |
| Siedepunkt | 333.94°C (rough estimate) |
| Dichte | 1.0541 (rough estimate) |
| Brechungsindex | 1.6380 (estimate) |
| Lagerbedingungen | RT, protect from light |
| pKa (Säurekonstante) | pKa 3.1/12.9±0.01(H2O,t =25,I>0.1) (Uncertain) |
| InChI | InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15) |
| InChIKey | ICFJFFQQTFMIBG-UHFFFAOYSA-N |
| SMILES | C(=N)(NCCC1=CC=CC=C1)NC(=N)N |
| CAS Datenbank | 114-86-3(CAS DataBase Reference) |
| NIST chemische Informationen | Imidodicarbonimidic diamide, n-(2-phenylethyl)-(114-86-3) |
Sicherheit & Vorschriften
| Weitere Sicherheitsinformationen | IMAP assessments - Imidodicarbonimidic diamide, N-(2-phenylethyl)-: Human health tier I assessment |
|---|---|
| FDA-Anforderungen | Drug products withdrawn or removed from the market for reasons of safety or effectiveness. Phenformin hydrochloride: All drug products containing phenformin hydrochloride. /Phenformin hydrochloride/Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392). |
| Special Reports | DHEW/NCIBioassay of Phenformin Hydrochloride for Possible Carcinogenicity (1977) Technical Rpt Series No. 7 DHEW Pub No. (NIH) 77-807 |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Wechselwirkungen | PHENFORMIN HAS BEEN REPORTED...TO ENHANCE ACTIVITY OF WARFARIN. PROPOSED MECHANISM IS INCR FIBRINOLYTIC EFFECT CAUSED BY PHENFORMIN SEEN DURING FIRST FEW MO OF TREATMENT.USE OF PROPRANOLOL IN DIABETIC PT...CAN RESULT IN DISTURBANCE OF CARBOHYDRATE METABOLISM & SHOULD BE AVOIDED. IF INSULIN & PROPRANOLOL...GIVEN CONCURRENTLY, PERIODIC SERUM GLUCOSE LEVELS SHOULD BE DETERMINED. ...SIMILAR PRECAUTIONS...APPLICABLE TO CONCURRENT USE OF...PHENFORMIN.DIABETIC PT TREATED WITH PHENFORMIN SHOULD AVOID INGESTION OF ALCOHOLIC BEVERAGES BECAUSE CONCURRENT USE MAY CAUSE HYPOGLYCEMIC REACTIONS OR LEAD TO LIFE-THREATENING LACTIC ACIDOSIS WITH SHOCK.DIPHENYLHYDANTOIN GIVEN IP TO RATS DECR LIVER LEVELS OF THIAMIN, RIBOFLAVIN, NIACIN, & PANTOTHENIC ACID. HEPATIC THIAMIN CONTENT WAS NORMALIZED BY SIMULTANEOUS ADMIN OF EITHER ACETOHEXAMINE OR PHENFORMIN.For more Interactions (Complete) data for PHENFORMIN (6 total), please visit the HSDB record page. |
| Ongoing Test Status | The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. /Phenformin hydrochloride/ [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=834-28-6] |
Anwendungen & Verwendung
Verwenden
N-Phenethylbiguanide is used in cancer treatment methods using thermotherapy and/or enhanced immunotherapy.