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CS-W001157 4
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(1-(N,N-dimethylsulfamoyl)-3-methyl-1H-pyrazol-4-yl)boronic acid

  • CAS No. 917899-10-6

  • Cat. No. CS-0496047
  • Molecule weight233.05
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(1-(N,N-dimethylsulfamoyl)-3-methyl-1H-pyrazol-4-yl)boronic acid|CS-0496047

Structure of 917899-10-6

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General Information

  • CAS No. 917899-10-6
  • Cat. No. CS-0496047
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂BN₃O₄S
  • Molecular Weight 233.05
  • Synonym(s) [1-(Dimethylsulfamoyl)-3-methyl-1H-pyrazol-4-yl]boronic acid
  • SMILES CN(C)S(=O)(=O)N1C=C(B(O)O)C(C)=N1

Synthesis

  • Route1

    References

    • ASTEX THERAPEUTICS LIMITED; THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL; CANCER RESEARCH TECHNOLOGY LIMITED; ASTRAZENECA AB Patent: WO2006/136830 A1, 2006 ; Location in patent: Page/Page column 186-187 ; WO 2006/136830 A1

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   95.66
  • LogP   -2.47418
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   3

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