Methyl 3-Amino-6-chloropyrazine-2-carboxylate - CAS 1458-03-3
Catalog: |
BB010009 |
Product Name: |
Methyl 3-Amino-6-chloropyrazine-2-carboxylate |
CAS: |
1458-03-3 |
Synonyms: |
3-amino-6-chloro-2-pyrazinecarboxylic acid methyl ester; methyl 3-amino-6-chloropyrazine-2-carboxylate |
IUPAC Name: | methyl 3-amino-6-chloropyrazine-2-carboxylate |
Description: | Methyl 3-Amino-6-chloropyrazine-2-carboxylate (CAS# 1458-03-3) is a reagent used in the design and synthesis of aminopyrazine derivatives as inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). |
Molecular Weight: | 187.58 |
Molecular Formula: | C6H6ClN3O2 |
Canonical SMILES: | COC(=O)C1=NC(=CN=C1N)Cl |
InChI: | InChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9) |
InChI Key: | JGAJCAJHSHUPGH-UHFFFAOYSA-N |
Boiling Point: | 334.735 °C at 760 mmHg |
Density: | 1.465 g/cm3 |
LogP: | 1.08000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111892597-A | Quinoxalinyl pyridopyrazine compound and preparation method and application thereof | 20200901 |
CN-111892601-A | Pyridopyrazolo cinnoline compound and preparation method and application thereof | 20200901 |
CN-111925370-A | Pyrazinopyrazolonaphthyridine compound and preparation method and application thereof | 20200901 |
WO-2021070132-A1 | Bi-aryl dihydroorotate dehydrogenase inhibitors | 20191010 |
AU-2017364901-A1 | Compounds and their methods of use | 20161128 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0148541 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0148541 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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