Ninhydrin - AR , CAS No.485-47-2

CAS: 485-47-2 Cat. No.: N105629 Formule: C₉H₆O₄ Poids moléculaire: 178.14 Beilstein Registry Number: 1910963 Numéro CE: 207-618-1

QUALITÉ & PURETÉ AR

Synonyms

1,2,3-Indantrione monohydrate|Ninhydrin hydrate

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Used in the detection and assay of peptides, amino acids, amines, and amino sugars yielding highly fluorescent ternary compounds with aldehydes and primary amines. Reaction with sarcosine or proline gives azomethine ylides.

Application：

It can be used for the detection of peptides, amino acids, amino acids and amino sugars, and can produce strong fluorescent ternary compounds with aldehydes and primary amines. Reacts with sarcosine or proline to form methylimine Ylide. Ninhydrin (ninhydrin hydrate) can be used as a reagent for the determination of amino acids and peptides by photometry and colorimetry. It can also be used to prepare ninhydrin reagents by mixing ninhydrin with hydroninhydrin (reduced form of ninhydrin) in dimethyl sulfoxide. This reagent can be used for the manual ninhydrin method to quantify amino acids. It can be used to detect free amino groups in amino acids, peptides and proteins.

Spécifications

Synonymes

1,2,3-Indantrione monohydrate | Ninhydrin hydrate

Spécifications et pureté

AR

Mécanismes biochimiques et physiologiques

Ninhydrin reacts with primary and secondary amines producing a blue or purple reaction product (diketohydrindylidene-diketohydrindamine). Ninhydrin is commonly used for the development of fingermarks on porous surfaces and is often used in comparison with

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

AR

Noms et identifiants

Pubchem Sid

508814451

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814451

Sourires canoniques

C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O

IUPAC Name

2,2-dihydroxyindene-1,3-dione

InChIKey

FEMOMIGRRWSMCU-UHFFFAOYSA-N

INCHI

1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H

Isomères SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O

WGK Allemagne

3

RTECS

NK5425000

Poids moléculaire

178.14

Beilstein

1910963

Reaxy-Rn

1910963

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910963&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanediones
• Alternative Parents: Aryl alkyl ketones Carbonyl hydrates Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanedione - Aryl alkyl ketone - Aryl ketone - Ketone - Carbonyl hydrate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
• External Descriptors: a small molecule

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

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CA7 Tclin Carbonic anhydrase 7 (1 Activities)

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

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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Lymphoblastoid cell (5959 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 Activities)

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

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Ca7 Carbonic anhydrase VII (3 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Plasmodium falciparum (966862 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Sensibilité: Light Sensitive
• Point de fusion (°C): 250°C
• Poids moléculaire: 178.140 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 178.027 Da
• Monoisotopic Mass: 178.027 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 243.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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