SIRT-IN-3 - Moligand™, ≥98% , CAS No.1211-19-4

CAS: 1211-19-4 Cat. No.: S647474 Molecular Weight: 212.25 PubChem CID: 96455

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-Phenylaminobenzamide | 2-phenylamino-benzamide | AMD-11070 | MFCD02179096 | Benzamide, 2-(phenylamino)- | Z135897260 | MFCD00476529 | SCHEMBL1318994 | Benzamide, o-anilino- | BRD-K79647146-001-01-2 | EN300-7414302 | BAA21119 | HY-133998 | KUC112561N | S

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Overview

SIRT-IN-3 is a potent SIRT inhibitor, with an IC 50 of 17 μM for SIRT1. SIRT-IN-3 shows about 4-fold and 14-fold selectivity for SIRT1 over SIRT2 and SIRT3 , respectively (IC 50 of 74 μM and 235 μM for SIRT2 and SIRT3 , respectively).

Specifications

Synonyms

2-Phenylaminobenzamide | 2-phenylamino-benzamide | AMD-11070 | MFCD02179096 | Benzamide, 2-(phenylamino)- | Z135897260 | MFCD00476529 | SCHEMBL1318994 | Benzamide, o-anilino- | BRD-K79647146-001-01-2 | EN300-7414302 | BAA21119 | HY-133998 | KUC112561N | S

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

SIRT-IN-3 is a potent SIRT inhibitor, with an IC 50 of 17 μM for SIRT1 . SIRT-IN-3 shows about 4-fold and 14-fold selectivity for SIRT1 over SIRT2 and SIRT3 , respectively (IC 50 of 74 μM and 235 μM for SIRT2 and SIRT3 , respectively).

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)N
• IUPAC Name: 2-anilinobenzamide
• InChIKey: JKWQUMKCVDUICQ-UHFFFAOYSA-N
• INCHI: 1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)
• Isomeric SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)N
• PubChem CID: 96455
• Molecular Weight: 212.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Anthranilamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Anthranilamides
• Alternative Parents: 2-aminobenzamides Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Secondary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.
• 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)

Daudi (625 Activities)

Explore this target

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

HCT-116 (91556 Activities)

Explore this target

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

SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)

Discover Target: SIRT3

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

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (1177.86 mM; Need ultrasonic)
• Molecular Weight: 212.250 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.095 Da
• Monoisotopic Mass: 212.095 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 236.000
• 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