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 Molecular Weight: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Nitric oxide synthase, inducible inhibitor

Purity

≥98%

Product Properties

• ALogP: -3.3

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(=NCCSCC[C@@H](C(=O)O)N)N
• Molecular Weight: 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
    • Class 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
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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