Phenformin - CAS 114-86-3
Catalog: |
BB003444 |
Product Name: |
Phenformin |
CAS: |
114-86-3 |
Synonyms: |
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine; 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine |
IUPAC Name: | 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine |
Description: | N-Phenethylbiguanide (CAS# 114-86-3) is used in cancer treatment methods using thermotherapy and/or enhanced immunotherapy. |
Molecular Weight: | 205.26 |
Molecular Formula: | C10H15N5 |
Canonical SMILES: | C1=CC=C(C=C1)CCN=C(N)N=C(N)N |
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) |
InChI Key: | ICFJFFQQTFMIBG-UHFFFAOYSA-N |
Boiling Point: | 413.7 °C at 760 mmHg |
Melting Point: | 175 - 178 °C |
Purity: | 98.0% |
Density: | 1.24 g/cm3 |
Solubility: | Crystals from isopropanol; pH (0.1 Molar aq soln): 6.7; MP 175-178 °C; Sol in water /Hydrochloride/ |
Appearance: | Solid |
LogP: | 2.72010 |
Publication Number | Title | Priority Date |
US-10980756-B1 | Methods of treatment | 20200316 |
WO-2021123162-A1 | Cocrystals of pterostilbene and compositions comprising them | 20191220 |
WO-2021125910-A2 | Pharmaceutical composition for preventing or treating cancer, comprising ndpk activator and h-prune inhibitor | 20191220 |
WO-2021123121-A1 | Lipid-based compositions comprising lipophilic salts and acidic ph modifiers | 20191218 |
WO-2021125868-A1 | Composition for preventing or treating cancer, containing polyp as active ingredient | 20191218 |
PMID | Publication Date | Title | Journal |
31324951 | 20190901 | Energy metabolism modulation by\xa0biguanides in comparison with rotenone in rat liver and heart | Archives of toxicology |
28942196 | 20180401 | Metformin selectively targets redox control of complex I energy transduction | Redox biology |
29458015 | 20180325 | Sulfenamide and sulfonamide derivatives of metformin can exert anticoagulant and profibrinolytic properties | Chemico-biological interactions |
29743445 | 20180101 | Increased susceptibility to troglitazone-induced mitochondrial permeability transition in type 2 diabetes mellitus model rat | The Journal of toxicological sciences |
30114225 | 20180101 | Activation of Nrf2 in the liver is associated with stress resistance mediated by suppression of the growth hormone-regulated STAT5b transcription factor | PloS one |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.1327455 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.1327455 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 103 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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