Arginase inhibitor 1 - Moligand™, ≥98% , Inhibitor of Arginase I;Inhibitor of Arginase II, CAS No.1345808-25-4, Inhibitor of Arginase I;Inhibitor of Arginase II

CAS: 1345808-25-4 Cat. No.: R609492 Molecular Weight: 286.18 PubChem CID: 66833213

GRADE & PURITY Moligand™, ≥98%

Synonyms

arginase inhibitor 1 | compound 9

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Arginase inhibitor 1 is a potent inhibitor of human arginases I and II with IC50s of 223 and 509 nM, respectively.

Specifications

Synonyms

arginase inhibitor 1 | compound 9

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

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

Inhibitor of Arginase I;Inhibitor of Arginase II

Purity

≥98%

Names and Identifiers

• Canonical Smiles: OB(CCCC[C@](C(=O)O)(CCN1CCCCC1)N)O
• IUPAC Name: (2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid
• InChIKey: CHPILBYRQPOXMV-CYBMUJFWSA-N
• INCHI: 1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1
• Isomeric SMILES: B(CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)O
• PubChem CID: 66833213
• Molecular Weight: 286.18

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: D-alpha-amino acids Medium-chain fatty acids Amino fatty acids Piperidines Trialkylamines Amino acids Boronic acids Organic metalloid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: D-alpha-amino acid - L-alpha-amino acid - Medium-chain fatty acid - Amino fatty acid - Piperidine - Fatty acid - Fatty acyl - Boronic acid derivative - Boronic acid - Tertiary amine - Tertiary aliphatic amine - Amino acid - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Monoalkylborane - Alkylborane - Amine - Aliphatic heteromonocyclic 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)

ARG2 Tchem Arginase-2, mitochondrial (2 Activities)

Discover Target: ARG2

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

ARG1 Tchem Arginase-1 (3 Activities)

Discover Target: ARG1

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

ARG1 Arginase-1 (70 Activities)

Discover Target: ARG1

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 286.180 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 286.206 Da
• Monoisotopic Mass: 286.206 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 298.000
• 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

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