GW274150 - Moligand™, ≥98% , Nitric oxide synthase, inducible inhibitor, CAS No.210354-22-6, Nitric oxide synthase, inducible inhibitor

CAS: 210354-22-6 Cat. No.: G610763 Peso molecular: 219.30

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2S)-2-amino-4-({2-[(1-aminoethylidene)amino]ethyl}sulfanyl)butanoic acid | (2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid | Q27251084 | HY-12119 | (S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-butyric acid | GTPL9849 | BDBM50086

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

GW274150 is a selective and potent dual inhibitor of NADPH-dependent human nitric oxide synthase (iNOS) (Kd=40 nM) and rat inducible nitric oxide synthase (iNOS). GW274150 showed low activity of endothelial nitric oxide synthase (eNOS) and neuronal nitric oxide synthase (nNOS) in human and rat. In an inflammatory model of acute lung injury, GW274150 showed protective effects

Specifications

Sinónimos

(2S)-2-amino-4-({2-[(1-aminoethylidene)amino]ethyl}sulfanyl)butanoic acid | (2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid | Q27251084 | HY-12119 | (S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-butyric acid | GTPL9849 | BDBM50086

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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

Nitric oxide synthase, inducible inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: -3.3

Nombres e identificadores

• Sonrisas canónicas: CC(=NCCSCC[C@@H](C(=O)O)N)N
• IUPAC Name: (2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
• InChIKey: MOLOJNHYNHBPCW-ZETCQYMHSA-N
• INCHI: 1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
• Isómeros SMILES: CC(=NCCSCC[C@@H](C(=O)O)N)N
• Peso molecular: 219.30
• Reaxy-Rn: 58877826
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58877826&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Thia fatty acids Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carboximidamides Carboxamidines Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Thia fatty acid - Fatty acid - Fatty acyl - Amino acid - Amidine - Carboxylic acid amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organic nitrogen compound - Primary amine - Organosulfur compound - Amine - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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)

NOS2 Tchem Nitric oxide synthase, inducible (3 Activities)

Discover Target: NOS2

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

NOS1 Tchem Nitric oxide synthase, brain (1 Activities)

Discover Target: NOS1

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

NOS3 Tchem Nitric oxide synthase, endothelial (1 Activities)

Discover Target: NOS3

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

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)

Discover Target: NOS3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS1 Tchem Nitric oxide sythases; iNOS & nNOS (685 Activities)

Discover Target: NOS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS2 Tchem Nitric oxide synthase (inducible and endothelial) (128 Activities)

Discover Target: NOS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 219.310 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 219.104 Da
• Monoisotopic Mass: 219.104 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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: 1