220515
Methyl benzimidate hydrochloride
97%
Synonym(s):
Benzimidoic acid methyl ester hydrochloride, Methyl benzenecarboximidate hydrochloride
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About This Item
Linear Formula:
C6H5C(=NH)OCH3·HCl
CAS Number:
Molecular Weight:
171.62
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
97%
mp
105-107 °C (dec.) (lit.)
functional group
ether
phenyl
storage temp.
−20°C
SMILES string
Cl.COC(=N)c1ccccc1
InChI
1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChI key
HDJNHVNQRJMWSH-UHFFFAOYSA-N
Application
Methyl benzimidate hydrochloride was used:
- in the synthesis of chiral phenyldihydroimidazole derivative
- as imidating reagent to modify Lys residues of cyclic Lys-Gly-Asp peptide to afford acetimidate analogs
- in the synthesis of N-benzimidoyl-(1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine)
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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J Einsiedel et al.
Bioorganic & medicinal chemistry letters, 11(18), 2533-2536 (2001-09-11)
Conformationally restricted benzamide bioisosteres were investigated when the chiral phenyldihydroimidazole derivative 4e (FAUC 179) showed strong and highly selective dopamine D4 receptor binding (K(i)high=0.95nM). Mitogenesis experiments indicated partial agonist properties (42%). EPC syntheses of the target compounds of type 4
R M Scarborough et al.
The Journal of biological chemistry, 268(2), 1066-1073 (1993-01-15)
Members of the snake venon-derived, "disintegrin" peptide family containing the Arg-Gly-Asp (RGD) amino acid sequence are among the most potent inhibitors of the binding of adhesive proteins to platelet glycoprotein (GP) IIb-IIIa. However, GPIIb-IIIa antagonists containing the RGD sequence are
Tao Ji et al.
Chemical research in toxicology, 20(4), 701-708 (2007-03-27)
Thiobenzamide (TB) is hepatotoxic in rats causing centrolobular necrosis, steatosis, cholestasis, and hyperbilirubinemia. It serves as a model compound for a number of thiocarbonyl compounds that undergo oxidative bioactivation to chemically reactive metabolites. The hepatotoxicity of TB is strongly dependent
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