iGOT1-01 - ≥98% , CAS No.882256-55-5

CAS: 882256-55-5 Cat. No.: I413110 Formula: C₁₉H₂₀N₄O Molecular Weight: 320.4

GRADE & PURITY ≥98%

Synonyms

4-(1H-indol-4-yl)-N-phenylpiperazine-1-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

iGOT1-01 is a potent inhibitor of aspartate aminotransferase 1 (glutamate oxaloacetate transaminase 1, GOT1).

Specifications

Synonyms

4-(1H-indol-4-yl)-N-phenylpiperazine-1-carboxamide

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

iGOT1-01 is a potent inhibitor of aspartate aminotransferase 1 (glutamate oxaloacetate transaminase 1, GOT1).

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762211
• Canonical Smiles: C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)NC4=CC=CC=C4
• IUPAC Name: 4-(1H-indol-4-yl)-N-phenylpiperazine-1-carboxamide
• InChIKey: MGSDOEMLWKEWSV-UHFFFAOYSA-N
• INCHI: 1S/C19H20N4O/c24-19(21-15-5-2-1-3-6-15)23-13-11-22(12-14-23)18-8-4-7-17-16(18)9-10-20-17/h1-10,20H,11-14H2,(H,21,24)
• Isomeric SMILES: C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)NC4=CC=CC=C4
• Molecular Weight: 320.4
• Reaxy-Rn: 32680628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32680628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: N-phenylureas Piperazine carboxamides Indoles Dialkylarylamines Pyrroles Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - N-phenylurea - Indole - Indole or derivatives - Piperazine-1-carboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Urea - Tertiary amine - Carbonic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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(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

• Molecular Weight: 320.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 320.164 Da
• Monoisotopic Mass: 320.164 Da
• Topological Polar Surface Area: 51.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 429.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 882256-55-5, the molecular formula is C19H20N4O, and the molecular weight is 320.4 g/mol. InChIKey MGSDOEMLWKEWSV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.