Nomega-Allyl-L-arginine hydrochloride - ≥99% , CAS No.139461-37-3

CAS: 139461-37-3 Cat. No.: N276458 Peso molecular: 214.27 PubChem CID: 135409360

GRADE & PURITY ≥99%

Synonyms

N | hDDAH inhibitor, 2c | N-omega-allyl-L-arginine | N(G)-Allylarginine | AKOS040756726 | (2S)-2-amino-5-({amino[(prop-2-en-1-yl)amino]methylidene}amino)pentanoic acid | SCHEMBL21067907 | (2S)-2-amino-5-[[amino-(prop-2-enylamino)methylidene]amino]pentanoi

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

N | hDDAH inhibitor, 2c | N-omega-allyl-L-arginine | N(G)-Allylarginine | AKOS040756726 | (2S)-2-amino-5-({amino[(prop-2-en-1-yl)amino]methylidene}amino)pentanoic acid | SCHEMBL21067907 | (2S)-2-amino-5-[[amino-(prop-2-enylamino)methylidene]amino]pentanoi

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Competitive, reversible neuronal nitric oxide synthase (nNOS) inhibitor. Generates allylated heme adducts.

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Tipo de acción

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C=CCNC(=NCCCC(C(=O)O)N)N
• IUPAC Name: (2S)-2-amino-5-[[amino-(prop-2-enylamino)methylidene]amino]pentanoic acid
• InChIKey: ZPQWZDPOLXVMOU-ZETCQYMHSA-N
• INCHI: 1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/m0/s1
• Isómeros SMILES: C=CCNC(=NCCC[C@@H](C(=O)O)N)N
• PubChem CID: 135409360
• Peso molecular: 214.27

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 Arginine and derivatives

• 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
• Direct Parent: Arginine and derivatives
• Alternative Parents: L-alpha-amino acids Guanidines Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Arginine or derivatives - Alpha-amino acid - L-alpha-amino acid - Guanidine - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: 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: 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 (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

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 100 mM
• Peso molecular: 214.270 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 214.143 Da
• Monoisotopic Mass: 214.143 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 240.000
• 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