2-Chloro-3-methylpyrazine - CAS 95-58-9

Name: 2-Chloro-3-methylpyrazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041766
Product Name:	2-Chloro-3-methylpyrazine
CAS:	95-58-9
Synonyms:	2-chloro-3-methylpyrazine; 2-chloro-3-methylpyrazine

Technical Data

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
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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