UAMC-3203 - ≥98% , CAS No.2271358-64-4

CAS: 2271358-64-4 Cat. No.: U414185 Molecular Weight: 471.66 PubChem CID: 137701965

GRADE & PURITY ≥98%

Synonyms

Benzenesulfonamide,4-​(cyclohexylamino)​-​3-​[(phenylmethyl)​amino]​-​N-​[2-​(1-​piperazinyl)​ethyl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

UAMC-3203 UAMC-3203 is an improved ferroptosis inhibitor with an IC50 value of 10 nM in IMR-32 neuroblastoma cells.

Targets

Ferroptosis (IMR-32 neuroblastoma cells) 10 nM

In vitro

UAMC-3203 has an impressive t1/2 when incubated with both human and rat microsomes (t1/2 = 20.5 h and t1/2 = 16.5 h respectively) but is found to be relatively less stable when incubated with murine microsomes (t1/2 = 3.46 h).

In vivo

UAMC-3203 significantly lowers the plasma levels of lactate dehydrogenase (LDH) in mice. It is rapidly removed from the bloodstream and redistributed into various tissues, as can be expected for lipophilic basic compounds. Significant concentrations of UAMC-3203 are found in all analyzed tissues (liver, kidney, and lungs).

Specifications

Synonyms

Benzenesulfonamide, 4-​(cyclohexylamino)​-​3-​[(phenylmethyl)​amino]​-​N-​[2-​(1-​piperazinyl)​ethyl]​-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

UAMC-3203 is an improved ferroptosis inhibitor with an IC50 value of 10 nM in IMR-32 neuroblastoma cells.

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%

Product Properties

• ALogP: 3.36
• HBD Count: 4
• Rotatable Bond: 10

Names and Identifiers

• Pubchem Sid: 504773511
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773511
• Canonical Smiles: C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NCCN3CCNCC3)NCC4=CC=CC=C4
• IUPAC Name: 3-(benzylamino)-4-(cyclohexylamino)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
• InChIKey: HSYSVXKJIVUNBR-UHFFFAOYSA-N
• INCHI: 1S/C25H37N5O2S/c31-33(32,28-15-18-30-16-13-26-14-17-30)23-11-12-24(29-22-9-5-2-6-10-22)25(19-23)27-20-21-7-3-1-4-8-21/h1,3-4,7-8,11-12,19,22,26-29H,2,5-6,9-10,13-18,20H2
• Isomeric SMILES: C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NCCN3CCNCC3)NCC4=CC=CC=C4
• PubChem CID: 137701965
• Molecular Weight: 471.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Phenylalkylamines Secondary alkylarylamines N-alkylpiperazines Sulfonyls Organosulfonic acids and derivatives Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Phenylalkylamine - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Piperazine - 1,4-diazinane - Sulfonyl - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 94 mg/mL (199.29 mM); Ethanol: 94 mg/mL (199.29 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 94
• DMSO(mM) Max Solubility: 199.296103125133
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 471.700 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 471.267 Da
• Monoisotopic Mass: 471.267 Da
• Topological Polar Surface Area: 93.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 652.000
• 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