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CS-W001157 4
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(αS)-α-[[(1R)-2-Hydroxy-1-phenylethyl]amino]Adamantan-1-acetonitrile Saxagliptin Impurity

  • CAS No. 361441-95-4

  • Cat. No. CS-0165260
  • Molecule weight310.44
  • Purity95+%
  • MDL No.MFCD21608633

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

(αS)-α-[[(1R)-2-Hydroxy-1-phenylethyl]amino]Adamantan-1-acetonitrile Saxagliptin Impurity|CS-0165260

Structure of 361441-95-4

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General Information

  • CAS No. 361441-95-4
  • Cat. No. CS-0165260
  • Purity 95+%
  • MDL No. MFCD21608633
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₆N₂O
  • Molecular Weight 310.44
  • Synonym(s) Tricyclo[3.3.1.13,7]decane-1-acetonitrile,alpha-[[(1R)-2-hydroxy-1-phenylethyl]amino]-,(alphaS)-
  • SMILES N#C[C@H](C1[C@H](C2)C[C@@H]3C[C@H]2C[C@H]1C3)N[C@@H](CO)C4=CC=CC=C4

Synthesis

  • Route1
    • null|null
      2094-74-8
    • In-stock
      (R)-(-)-2-Phenylglycinol|CS-W002038
      56613-80-0
    • null|null
      151-50-8
    • ~64%
    • (αS)-α-[[(1R)-2-Hydroxy-1-phenylethyl]amino]Adamantan-1-acetonitrile Saxagliptin Impurity|CS-0165260
      361441-95-4

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/12249 A2, 2005 ; Location in patent: Page/Page column 35 ; WO 2005/012249 A2
  • Route2
    • null|null
      773837-37-9
    • null|null
      2094-74-8
    • In-stock
      (R)-(-)-2-Phenylglycinol|CS-W002038
      56613-80-0
    • ~61%
    • (αS)-α-[[(1R)-2-Hydroxy-1-phenylethyl]amino]Adamantan-1-acetonitrile Saxagliptin Impurity|CS-0165260
      361441-95-4

    References

    • Dong, Jizhe; Gong, Yanchun; Liu, Jun; Chen, Xiangfeng; Wen, Xiaoan; Sun, Hongbin Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 4 p. 1383 - 1393
  • Route3

    References

    • LEE PHARMA LIMITED; ALLA, Venkat Reddy; ALLA, Raghu Mitra; DUBEY, Ajay Kumar; REDDY, P. Ramakrishna Patent: WO2014/57495 A1, 2014 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   56.05
  • LogP   3.41818
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   5

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