Lavendustin B - Moligand™, ≥95% , CAS No.125697-91-8

CAS: 125697-91-8 Cat. No.: L274804 Formule: C₂₁H₁₉NO₅ Poids moléculaire: 365.4 Numéro CE: 878-714-4

GRADE & PURITY Moligand™, ≥95%

Synonyms

BDBM50025606 | DTXSID40154854 | N17046 | BCP20779 | N,N-bis(2'-Hydroxybenzyl)-3-aminosalicylic acid | CCG-208626 | HY-108935 | 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid | 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-benzoic acid | Q27

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Lavendustin B is an inhibitor of HIV-1 integrase interaction with LEDGF/p75 with an IC50 of 94.07 μM. Lavendustin B is an ATP-competitive GLUT1 inhibitor with a Ki of 15 µM. Lavendustin B is also a weak inhibitor of tyrosine kinases。

Specifications

Synonymes

BDBM50025606 | DTXSID40154854 | N17046 | BCP20779 | N,N-bis(2'-Hydroxybenzyl)-3-aminosalicylic acid | CCG-208626 | HY-108935 | 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid | 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-benzoic acid | Q27

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

Tyrosine kinase inhibitor (IC 50 = 1.3 μM). Inactive analogue of Lavendustin A.

Source

Synthetic

Conditions de stockage de stockage

Store at -20°C,Argon charged,Desiccated

Expédié en

Ice chest + Ice pads

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

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.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504750728
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750728
• Sourires canoniques: C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O
• IUPAC Name: 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
• InChIKey: RTYOLBQXFXYMKY-UHFFFAOYSA-N
• INCHI: 1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
• Isomères SMILES: C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O
• Poids moléculaire: 365.4
• Reaxy-Rn: 9804397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9804397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Salicylic acids Aminobenzoic acids Benzoic acids p-Aminophenols Aniline and substituted anilines Dialkylarylamines Benzylamines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Vinylogous acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbenzamine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzoic acid or derivatives - Benzoic acid - P-aminophenol - Aminophenol - Benzoyl - Benzylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Amino acid or derivatives - Amino acid - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO and in ethanol to 50 mM
• Sensibilité: Air Sensitive,Heat Sensitive
• Poids moléculaire: 365.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 365.126 Da
• Monoisotopic Mass: 365.126 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 463.000
• 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