Lipofermata - Moligand™,≥98% , CAS No.297180-15-5

CAS: 297180-15-5 Cat. No.: L647455 Molecular Weight: 360.23

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-Bromo-5'-phenyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Lipofermata is a fatty acid transport protein 2 (FATP2) inhibitor. Lipofermata shows fatty acid transport inhibition with an IC 50 of 4.84 μM in Caco-2 cells. Lipofermata, an analog of spiro-indoline-thadiazole, shows zinc-specific suppression of antibacterial activity. Lipofermata perturbs zinc homeostasis in E. coli K-12 with a MIC of 16 μM .

Specifications

Synonyms

5-Bromo-5'-phenyl-3'H-spiro[indoline-3, 2'-[1, 3, 4]thiadiazol]-2-one

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Lipofermata is a fatty acid transport protein 2 (FATP2) inhibitor. Lipofermata shows fatty acid transport inhibition with an IC 50 of 4.84 μM in Caco-2 cells. Lipofermata, an analog of spiro-indoline-thadiazole, shows zinc-specific suppression of antibact

Storage

Store at -20°C, Argon charged

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=NNC3(S2)C4=C(C=CC(=C4)Br)NC3=O
• IUPAC Name: 5-bromo-5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
• InChIKey: RRBYYBWDUNSVAW-UHFFFAOYSA-N
• INCHI: 1S/C15H10BrN3OS/c16-10-6-7-12-11(8-10)15(14(20)17-12)19-18-13(21-15)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)
• Isomeric SMILES: C1=CC=C(C=C1)C2=NNC3(S2)C4=C(C=CC(=C4)Br)NC3=O
• Molecular Weight: 360.23

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Indolines Benzene and substituted derivatives Aryl bromides Thiadiazolines Secondary carboxylic acid amides Lactams Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiadiazoline - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Hydrazone - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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)

ADAMTS5 Tchem ADAMTS5 (711 Activities)

Discover Target: ADAMTS5

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

Associated Targets(non-human)

Mus musculus (284745 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

• Solubility: DMSO : 100 mg/mL (277.60 mM; Need ultrasonic)
• Sensitivity: light sensitive
• Molecular Weight: 360.200 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 358.973 Da
• Monoisotopic Mass: 358.973 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1