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β-Aminopropionitrile (Standard)

CAT: 0804-HY-Y1750RSize: 1 EachDry Ice: NoHazardous: No
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Description
β-Aminopropionitrile (BAPN) is a specific, irreversible and orally active lysyl oxidase (LOX) inhibitor. β-Aminopropionitrile targets the active site of LOX or LOXL isoenzymes[1][2].
CAS Number
151-18-8
UNSPSC
12352211
Target
Endogenous Metabolite; Monoamine Oxidase
Related Pathways
Metabolic Enzyme/Protease; Neuronal Signaling
Field of Research
Cancer; Metabolic Disease
Smiles
N#CCCN
Molecular Formula
C3H6N2
Molecular Weight
70.09
References & Citations
[1]Miana M, et al. The lysyl oxidase inhibitor β-aminopropionitrile reduces body weight gain and improves the metabolic profile in diet-induced obesity in rats. Dis Model Mech. 2015 Jun;8 (6) :543-51.|[2]Yang X, et al. Inactivation of lysyl oxidase by β-aminopropionitrile inhibits hypoxia-induced invasion and migration of cervical cancer cells. Oncol Rep. 2013 Feb;29 (2) :541-8.|[3]Ren W, et al. β-Aminopropionitrile monofumarate induces thoracic aortic dissection in C57BL/6 mice. Sci Rep. 2016 Jun 22;6:28149.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3-Aminopropionitrile

Beta-aminopropionitrile is an aminopropionitrile carrying an amino group at the beta-position. It has a role as an antineoplastic agent, an antirheumatic drug, a plant metabolite and a collagen cross-linking inhibitor. It is a conjugate base of a beta-ammoniopropionitrile.

CAS Number151-18-8
PubChem CID1647
IUPAC Name3-aminopropanenitrile
Molecular FormulaC3H6N2
Molecular Weight70.09
XLogP-1
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity49
SMILES
C(CN)C#N
InChI
InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
InChIKey
AGSPXMVUFBBBMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminopropionitrile
CAS: 151-18-8
CID: 1647
Formula: C3H6N2
MW: 70.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight70.09
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass70.053098200
Monoisotopic Mass70.053098200
Topological Polar Surface Area49.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity49.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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