| product Name |
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate |
| Synonyms |
3-[(Aminoiminomethyl)amino]-4-methyl-benzoic acid ethyl ester mononitrate; 3-((aminoiminomethyl)amino)-4-methylbenzoic acid ethyl ester mononitrate; ethyl 3-guanidino-4-methylbenzoate nitrate |
| Molecular Formula |
C11H16N4O5 |
| Molecular Weight |
284.2685 |
| InChI |
InChI=1/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4) |
| CAS Registry Number |
641569-96-2 |
| Molecular Structure |
![641569-96-2 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate](https://images-a.chemnet.com/suppliers/chembase/cas8/cas641569-96-2.gif)
|
| Chemical Properties |
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate Appearance white to almost white powder to crystals, melting point 199 °C, storage 2-8 °C. |
| Uses |
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate is an organic synthetic material or pharmaceutical intermediate compound that can be used in the preparation of N-phenyl-2-pyrimidinamine derivatives and in the synthesis of nilotinib and its salts. Nilotinib is a tyrosine kinase inhibitor used for the treatment of drug-resistant chronic myelogenous leukemia (CML), and in particular, for the treatment of chronic phase and accelerated phase Philadelphia chromosome positive chronic myeloid leukemia (CML) in adult patients whose disease has progressed on or who cannot tolerate other therapies that included imatinib. Nilotinib is administrated as a hydrochloride salt in the form of capsules that are marketed in the USA and the EU under the name Tasigna?. |
| Raw materials |
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester–>3-Amino-4-methylbenzoic acid–>Ethyl 3-Amino-4-methylbenzoate–>Benzoic acid, 4-Methyl-3-nitro-, ethyl ester–>4-Methyl-3-nitrobenzoic acid–>Cyanamide |
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