tilarginine - Moligand™ , Inhibitor of Endothelial NOS;Inhibitor of Inducible NOS;Inhibitor of Neuronal NOS, CAS No.T614450, Inhibitor of Endothelial NOS;Inhibitor of Inducible NOS;Inhibitor of Neuronal NOS

CAS: T614450 Cat. No.: T614450 PubChem CID: 132862

GRADE & PURITY Moligand™

Synonyms

L-NG-Monomethyl Arginine | NCGC00015841-02 | omega-N-Monomethylarginine | Ornithine, N5-(methylamidino)-, L- | Targinine | Targinine [BAN] | (S)-2-Amino-5-(3-methylguanidino)pentanoic acid | acide (2S)-2-amino-5-(3-methylguanidino)pentanoique | BSPBio_003

Storage

Room temperature

Specifications

Synonyms

L-NG-Monomethyl Arginine | NCGC00015841-02 | omega-N-Monomethylarginine | Ornithine, N5-(methylamidino)-, L- | Targinine | Targinine [BAN] | (S)-2-Amino-5-(3-methylguanidino)pentanoic acid | acide (2S)-2-amino-5-(3-methylguanidino)pentanoique | BSPBio_003

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Endothelial NOS;Inhibitor of Inducible NOS;Inhibitor of Neuronal NOS

Names and Identifiers

• Canonical Smiles: CN=C(NCCC[C@@H](C(=O)O)N)N
• IUPAC Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
• InChIKey: NTNWOCRCBQPEKQ-YFKPBYRVSA-N
• INCHI: 1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
• Isomeric SMILES: CN=C(N)NCCC[C@@H](C(=O)O)N
• PubChem CID: 132862

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 Arginine and derivatives

• 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
• Direct Parent: Arginine and derivatives
• Alternative Parents: L-alpha-amino acids Fatty acids and conjugates Guanidines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Monoalkylamines Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Arginine or derivatives - Alpha-amino acid - L-alpha-amino acid - Fatty acid - Guanidine - Amino acid - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Imine - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: guanidines - non-proteinogenic L-alpha-amino acid - L-arginine derivative

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 (6 Activities)

Discover Target: NOS2

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

NOS1 Tchem Nitric oxide synthase, brain (5 Activities)

Discover Target: NOS1

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

NOS3 Tchem Nitric oxide synthase, endothelial (7 Activities)

Discover Target: NOS3

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

Chemical and Physical Properties

• Molecular Weight: 188.230 g/mol
• XLogP3: -4.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.127 Da
• Monoisotopic Mass: 188.127 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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