Phosphoramidon disodium salt - Moligand™,≥97% , CAS No.119942-99-3

CAS: 119942-99-3 Cat. No.: P141352 Molecular Weight: 587.47 Beilstein Registry Number: 8105669 EC Number: 805-359-4 PubChem CID: 16219931

GRADE & PURITY Moligand™, ≥97%

Synonyms

UNII-3F7O684NXF | disodium;(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[oxido-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]pentanoyl]amino]propanoate | L-TRYPTOPHAN, N-(N-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)HYDROXYPHOSPHINY

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

UNII-3F7O684NXF | disodium;(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[oxido-[(2S, 3R, 4R, 5R, 6S)-3, 4, 5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]pentanoyl]amino]propanoate | L-TRYPTOPHAN, N-(N-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)HYDROXYPHOSPHINY

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

Metallo-endopeptidase inhibitor originally derived from cultures of Streptomyces tanashiensis . Inhibits thermolysin, membrane metallo-endopeptidases, and endothelin converting enzyme. Also inhibits NEP 24.11 and NEP2 and weakly inhibits collegenase.

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™

Note

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.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199350
• Canonical Smiles: CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-])O)O)O.[Na+].[Na+]
• IUPAC Name: disodium;(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[oxido-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]pentanoyl]amino]propanoate
• InChIKey: OQKHVXFOYFBMDJ-ODIUWQMJSA-L
• INCHI: 1S/C23H34N3O10P.2Na/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15;;/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34);;/q;2*+1/p-2/t12-,16-,17-,18-,19+,20+,23-;;/m0../s1
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-])O)O)O.[Na+].[Na+]
• WGK Germany: 3
• Alternate CAS: 164204-38-0；6357-77-4
• PubChem CID: 16219931
• Molecular Weight: 587.47
• Beilstein: 8105669

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Leucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Hexoses 3-alkylindoles Phosphoric monoester monoamides Substituted pyrroles Benzenoids N-acyl amines Phosphate esters Oxanes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Polyols Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organonitrogen compounds Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Leucine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Hexose monosaccharide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phosphoric monoester monoamide - Fatty acyl - Organic phosphoric acid amide - N-acyl-amine - Monosaccharide - Benzenoid - Organic phosphoric acid derivative - Fatty amide - Substituted pyrrole - Oxane - Phosphoric acid ester - Heteroaromatic compound - Pyrrole - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Polyol - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organoheterocyclic compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic sodium salt - Organooxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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)

FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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

Associated Targets(non-human)

npr Thermolysin (425 Activities)

Discover Target: npr

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: heat sensitive;Hygroscopic
• Molecular Weight: 587.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 587.162 Da
• Monoisotopic Mass: 587.162 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 834.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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: 3

XLogP3