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 Fórmula: C₁₄H₂₄N₇O₈F₉ Peso molecular: 589.37 Número CE: 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-

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e 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,

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of Neuronal NOS

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

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 Alemanha

3

PubChem CID

71311606

Peso molecular

589.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Alvos associados (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)

Propriedades químicas e físicas

• Solubilidade: Soluble in water (50 mg/mL).
• Sensibilidade: 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

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 357965-99-2, the molecular formula is C14H24N7O8F9, and the molecular weight is 589.37 g/mol. InChIKey NYWNMNBIORWOSQ-QTPLPEIMSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.