Methyl 3-amino-6-bromopyrazine-2-carboxylate - CAS 6966-01-4
Catalog: |
BB033915 |
Product Name: |
Methyl 3-amino-6-bromopyrazine-2-carboxylate |
CAS: |
6966-01-4 |
Synonyms: |
2-Pyrazinecarboxylic acid, 3-amino-6-bromo-, methyl ester; Pyrazinecarboxylic acid, 3-amino-6-bromo-, methyl ester; 3-Amino-6-bromo-2-pyrazinecarboxylic acid methyl ester; NSC 18700; 2-Amino-5-bromopyrazine-3-carboxylic Acid Methyl Ester |
IUPAC Name: | methyl 3-amino-6-bromopyrazine-2-carboxylate |
Molecular Weight: | 232.03 |
Molecular Formula: | C6H6BrN3O2 |
Canonical SMILES: | COC(=O)C1=NC(=CN=C1N)Br |
InChI: | InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9) |
InChI Key: | CNXSIRHOIFRMOB-UHFFFAOYSA-N |
Boiling Point: | 322.4±37.0°C at 760 mmHg |
Melting Point: | 175.3-175.9°C |
Purity: | ≥95% |
Density: | 1.754±0.06 g/cm3 |
Solubility: | Soluble in Chloroform, Ethyl Acetate, Methanol |
Appearance: | Orange Solid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00834964 |
LogP: | 1.18910 |
GHS Hazard Statement: | H317 (98.48%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354631-A | 1,3, 4-oxadiazole derivative and preparation method and application thereof | 20210601 |
CN-113248473-A | Preparation and medical application of targeted GSK3 alpha/beta degradation agent | 20210526 |
CN-111978263-A | Preparation method of Favipiravir and intermediate thereof | 20200910 |
CN-111662938-A | Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound | 20200623 |
CN-111662938-B | Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound | 20200623 |
PMID | Publication Date | Title | Journal |
21490603 | 20110413 | Selective killing of ATM- or p53-deficient cancer cells through inhibition of ATR | Nature chemical biology |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.96434 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.96434 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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