NOS1-IN-1 - Moligand™, ≥98% , Inhibitor of Neuronal NOS, CAS No.357965-99-2, Inhibitor of Neuronal NOS

CAS: 357965-99-2 Cat. No.: N340474 Peso molecular: 589.37 Número EC: 636-866-7 PubChem CID: 71311606

GRADE & PURITY Moligand™, ≥98%

Synonyms

NYWNMNBIORWOSQ-QTPLPEIMSA-N | N-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-N'-nitroguanidine tris(trifluoroacetate) salt, >=98% (HPLC), powder | NOS1-IN-1 | 2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine;2,2,2-trifluoroacetic acid | nNOS-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

NYWNMNBIORWOSQ-QTPLPEIMSA-N | N-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-N'-nitroguanidine tris(trifluoroacetate) salt, >=98% (HPLC), powder | NOS1-IN-1 | 2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine;2, 2, 2-trifluoroacetic acid | nNOS-

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

NOS1-IN-1 is a selective and cell-permeable nNOS inhibitor with a Ki of 120 nM. NOS1-IN-1 exhibits 2617-fold and 325-fold selectivity over eNOS (Ki=39 μM) and iNOS (Ki=325 μM) , respectively. NOS1-IN-1 can be used for the research of neurological disease,

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of Neuronal NOS

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(CC(CNCCN)N)CN=C(N)N[N+](=O)[O-].C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• IUPAC Name: 2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine;2,2,2-trifluoroacetic acid
• InChIKey: NYWNMNBIORWOSQ-QTPLPEIMSA-N
• INCHI: 1S/C8H21N7O2.3C2HF3O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17;3*3-2(4,5)1(6)7/h7,12H,1-6,9-10H2,(H3,11,13,14);3*(H,6,7)/t7-;;;/m0.../s1
• Isómeros SMILES: C(C[C@@H](CNCCN)N)CN=C(N)N[N+](=O)[O-].C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• WGK Alemania: 3
• PubChem CID: 71311606
• Peso molecular: 589.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroguanidines
• Alternative Parents: Nitramines Alpha-halocarboxylic acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carboximidamides Organofluorides Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Nitroguanidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Nitramine - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - Alkyl halide - Organooxygen compound - Primary amine - Organic oxide - Amine - Organic zwitterion - Carbonyl group - Alkyl fluoride - Organic salt - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitroguanidines. These are organonitrogen compounds containing a nitro group, which is N-linked to a guanidine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

NOS1 Tchem Nitric oxide synthase, brain (0 Activities)

Discover Target: NOS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Soluble in water (50 mg/mL).
• Sensibilidad: Light and moisture sensitive
• Peso molecular: 589.370 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 9
• Exact Mass: 589.154 Da
• Monoisotopic Mass: 589.154 Da
• Topological Polar Surface Area: 272.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

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