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CS-W001157 4
Total: USD 88.00

Thioanisole

  • CAS No. 100-68-5

  • Cat. No. CS-0015372
  • Purity≥98%
  • MDL No.MFCD00008559

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

Thioanisole|CS-0015372

Structure of 100-68-5

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General Information

  • CAS No. 100-68-5
  • Cat. No. CS-0015372
  • Purity ≥98%
  • MDL No. MFCD00008559
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈S
  • Molecular Weight 124.20
  • Synonym(s) Methylthiobenzene
  • SMILES CSC1=CC=CC=C1

Description

A cell-permeable thiophenecarboxamide-ureido compound that acts as a potent, ATP-binding pocket-targeting inhibitor of IKK-2 (IC50 = 25 nM), while affecting IKK-1 and JNK1 only at much higher concentrations (IC50 = 1.0 and 1.6 M, respectively). Shown to reduce LPS-induced TNF- production in PBMCs (IC50 = 250 nM) and exhibit oral availability with good pharmacokinetic in rats in vivo.

Synthesis

  • Route1
    • null|null
      108-98-5
    • null|null
      616-38-6
    • ~98%
    • In-stock
      Thioanisole|CS-0015372
      100-68-5

    References

    • Chemistry - A European Journal, , vol. 16, # 4 p. 1128 - 1132
  • Route2

    References

    • Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 82, # 1-4 p. 207 - 210
  • Route3
    • null|null
      79-20-9
    • null|null
      108-98-5
    • ~99%
    • In-stock
      Thioanisole|CS-0015372
      100-68-5

    References

    • Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 4 p. 519 - 522

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3334
Class : 9
Packing Group : Ⅲ
Hazard Statements : H227-H302-H315-H317-H411
Precautionary Statements : P210-P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P370+P378-P391-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.4085
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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