1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane | CAS No. 71089-74-2

1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

Basic Information

CAS Number

71089-74-2

Molecular Formula

C38H48N4O8S4

Molecular Weight

817.09 g/mol

AD

Basic Physical Properties

Density

1.303

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C38H48N4O8S4/c1-31-7-15-35(16-8-31)51(43,44)39-23-5-24-41(53(47,48)37-19-11-33(3)12-20-37)29-30-42(54(49,50)38-21-13-34(4)14-22-38)26-6-25-40(28-27-39)52(45,46)36-17-9-32(2)10-18-36/h7-22H,5-6,23-30H2,1-4H3

InChIKey

OVVMBINCTWKHOS-UHFFFAOYSA-N

LogP

4.777480000000005

Topological Polar Surface Area

149.51999999999998 Ų

Hydrogen Bond Donor/Acceptor

0 / 12

Complexity

1360

Synonyms & References

English

  • PLERIXAFOR IMPURITY 3 (SM-1D)
  • ChemDiv1_018770
  • DTXSID80389067
  • 1,4,8,11-TETRAKIS-(TOLUENE-4-SULFONYL)-1,4,8,11-TETRAAZA-CYCLOTETRADECANE
  • 1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane
  • SCHEMBL3110096
  • 71089-74-2
  • AKOS001586639
  • 1,4,8,11-TETRATOSYL-1,4,8,11-TETRAAZACYCLOTETRADECANE
  • HMS640F04
  • DivK1c_003554
  • CDS1_002514
  • 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane
  • 14811-Tetrakis[(4-methylphenyl)sulfonyl]-14811-tetraazacyclotetradecane
  • 1,4,8,11-tetrakis(p-toluenesulphonyl)-1,4,8,11-tetraazacyclotetradecane
  • 1,4,8,11-tetrakis-(toluene-4-sulfonyl)-1,4,8,11-tetraaza-cyclotetradecane
  • 1,4,8,11-tetra-p-tosyl-1,
  • 1,5,8,12-Tetraaza-cyclotetradecan-tetratosylat
  • AC1MJEZK
  • AG-G-78229
  • CTK5D3494
  • N,N',N'',N'''-tetratosyl-1,4,8,11-tetraazacyclotetradecane
  • SureCN3110096

MDL Number

MFCD00188459

FAQ

What is 1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane (CAS: 71089-74-2)?

1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane, also known as 1,4,8,11-Tetraisothioindacene-1,4,8,11-tetraamine, is a complex organic compound with a CAS number of 71089-74-2. It features a 1,4,8,11-tetraazacyclotetradecane core with four 4-methylphenylsulfonyl groups attached. This compound is characterized by its stability and unique chemical structure, making it useful in various applications.

What are the main uses of 1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane (CAS: 71089-74-2)?

1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane (CAS: 71089-74-2) is primarily used in pharmaceuticals for its potential as an anticancer agent. It also finds applications in research as a model compound and in the synthesis of other organic compounds. Its unique structure makes it suitable for various chemical syntheses and studies in organic chemistry.

Is 1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane (CAS: 71089-74-2) safe?

1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane (CAS: 71089-74-2) is generally considered safe for laboratory use under normal conditions, but like any chemical, it requires proper handling. It is important to follow safety guidelines, wear appropriate personal protective equipment, and store it in a well-ventilated area. Always consult the material safety data sheet (MSDS) for detailed safety information.

How should 1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane (CAS: 71089-74-2) be stored?

1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane (CAS: 71089-74-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. It is important to maintain a stable temperature and avoid fluctuations that could affect its chemical properties. Regularly check the container for any signs of degradation and handle it with care to prevent spills or leaks.

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