N-[3-(Aminomethyl)benzyl]acetamidine
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![N-[3-(Aminomethyl)benzyl]acetamidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b24894dee0f847fb9e6125b4b637604e.png "N-[3-(Aminomethyl)benzyl]acetamidine")
N-[3-(Aminomethyl)benzyl]acetamidine
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CAS No:
180001-34-7
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Formula:
C10H15N3
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Chemical Name:
N-[3-(Aminomethyl)benzyl]acetamidine
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Synonyms:
Ethanimidamide,N-[[3-(aminomethyl)phenyl]methyl]-;N-[[3-(Aminomethyl)phenyl]methyl]ethanimidamide;1400W;W 1400;N-[3-(Aminomethyl)benzyl]acetamidine
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CAS No:
Description
White Solid
N-[3-(aminomethyl)benzyl]acetamidine is an aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a geroprotector and an angiogenesis inhibitor. It is a carboxamidine, an aralkylamine and a primary amino compound.
Characteristics
61.90000
2.42300
solid
1.09±0.1 g/cm3(Predicted)
208-220 °C
301.7±44.0 °C(Predicted)
152.7ºC
−20°C
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
1400W cpd
N-[3-(Aminomethyl)benzyl]acetamidine Use and Manufacturing
A selective inducible nitric oxide synthase (iNOS) inhibitor.A long-acting human iNOS inhibitor possessing an IC50 value of 2.0uM
Computed Properties
Molecular Weight:177.25
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:177.126597491
Monoisotopic Mass:177.126597491
Topological Polar Surface Area:64.4
Heavy Atom Count:13
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-[3-(Aminomethyl)benzyl]acetamidine
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