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NOS-IN-1

CAT: 0931-T21700-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T21700-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
165383-72-2
Target
NOS, NO Synthase
Related Pathways
Immunology/Inflammation
Purity
>99.99%
Bioactivity
NOS-IN-1 (2-Imino-4-methylpiperidine acetate) is a potent and orally active inhibitor of NO synthase (NOS) isoforms. NOS-IN-1 exhibits IC50s of 0.1 μM, 0.2 μM, and 1.1μM for human iNOS (hiNOS), hnNOS and heNOS, respectively.
Smiles
CC(CCN1)CC1=N.CC(O)=O
Molecular Formula
C8H16N2O2
Molecular Weight
172.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Imino-4-methylpiperidine acetate
CAS Number165383-72-2
PubChem CID53229995
IUPAC Nameacetic acid;4-methyl-2,3,4,5-tetrahydropyridin-6-amine
Molecular FormulaC8H16N2O2
Molecular Weight172.22
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity138
SMILES
CC1CCN=C(C1)N.CC(=O)O
InChI
InChI=1S/C6H12N2.C2H4O2/c1-5-2-3-8-6(7)4-5;1-2(3)4/h5H,2-4H2,1H3,(H2,7,8);1H3,(H,3,4)
InChIKey
QNJYWSIQJFUBOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Imino-4-methylpiperidine acetate
CAS: 165383-72-2
CID: 53229995
Formula: C8H16N2O2
MW: 172.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.22
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass172.121177757
Monoisotopic Mass172.121177757
Topological Polar Surface Area75.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-138564NOS-IN-1
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MO15129NOS
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