2-Chloro-3-methylpyrazine - CAS 95-58-9
Catalog: |
BB041766 |
Product Name: |
2-Chloro-3-methylpyrazine |
CAS: |
95-58-9 |
Synonyms: |
2-chloro-3-methylpyrazine; 2-chloro-3-methylpyrazine |
IUPAC Name: | 2-chloro-3-methylpyrazine |
Description: | 2-Chloro-3-methylpyrazine (CAS# 95-58-9) is the derivative of Andrographolide(A637475) is a labdane diterpenoid (2). Andrographolide is the main bioactive component isolated from the medicinal plant Andrographis paniculata (2). Andrographolide showed significant antihepatotoxic action in P. berghei K173-induced hepatic damage in M. natalensis(1). Andrographolide inhibits tumor necrosis factor-α (TNF-α)-induced intercellular adhesion mol.-1 (ICAM-1) expression and adhesion of HL-60 cells onto human umbilical vein endothelial cells (HUVEC), which are associated with inflammatory diseases (2). These findings suggest that Andrographolide may have potential as a cardiovascular-protective agent. |
Molecular Weight: | 128.56 |
Molecular Formula: | C5H5ClN2 |
Canonical SMILES: | CC1=NC=CN=C1Cl |
InChI: | InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3 |
InChI Key: | WZHWPZQQPWKEAV-UHFFFAOYSA-N |
Boiling Point: | 169.5 °C at 760 mmHg |
Density: | 1.234 g/cm3 |
MDL: | MFCD00023279 |
LogP: | 1.43840 |
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-110963974-A | Production method of 2-methyl-3 (5 or 6) -methylthio pyrazine | 20191219 |
WO-2021123291-A1 | Oga inhibitor compounds | 20191218 |
WO-2021115286-A1 | Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor | 20191210 |
WO-2021097039-A1 | Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof | 20191115 |
US-2021107889-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.0141259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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