NG,NG-dimethyl-L-arginine - Moligand™ , CAS No.30315-93-6

CAS: 30315-93-6 Cat. No.: N612426 Molecular Weight: 202.25

GRADE & PURITY Moligand™

Synonyms

Dimethyl-L-arginine | Nomega,Nomega'-Dimethyl-L-arginine | Nomega,Nomega-Dimethyl-L-arginine | Assymetric Dimethylarginine | A897915 | NG-dimethylarginine | (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid | Asymmetric Dimethylarginin

Storage

Room temperature

Specifications

Synonyms

Dimethyl-L-arginine | Nomega, Nomega'-Dimethyl-L-arginine | Nomega, Nomega-Dimethyl-L-arginine | Assymetric Dimethylarginine | A897915 | NG-dimethylarginine | (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid | Asymmetric Dimethylarginin

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CN(C)C(=NCCCC(C(=O)O)N)N
• IUPAC Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
• InChIKey: YDGMGEXADBMOMJ-LURJTMIESA-N
• INCHI: 1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
• Isomeric SMILES: CN(C)C(=NCCC[C@@H](C(=O)O)N)N
• Molecular Weight: 202.25
• Reaxy-Rn: 30921412
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30921412&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 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 - dimethylarginine

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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HEK293 (82097 Activities)

Explore this target

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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DDAH1 Tchem N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (231 Activities)

Discover Target: DDAH1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Ddah1 Dimethylarginine dimethylaminohydrolase 1 (7 Activities)

Discover Target: Ddah1

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 202.250 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 202.143 Da
• Monoisotopic Mass: 202.143 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 215.000
• 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

References

1. Jiahao Shi, Zhengnan Lu, Yan Pan, Yang Sheng, Yixin Sun, Linhong Deng, Mark Bradley, Le Zhou, Rong Zhang.  (2022)  Synthesis of water-soluble protoporphyrin IX polymers and their photodynamic application.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (7): (e53485).  [PMID:] [10.1002/app.53485]

2. Chen Huai, Wei Mingyang, He Yantao, Abed Jehad, Teale Sam, Sargent Edward H., Yang Zhenyu.  (2022)  Germanium silicon oxide achieves multi-coloured ultra-long phosphorescence and delayed fluorescence at high temperature.  Nature Communications,  13  (1): (1-9).  [PMID:35915117] [10.1038/s41467-022-32133-2]