2-Oxo-selenazolidine-4-carboxylic acid

ID: ALA2112530

PubChem CID: 10104073

Max Phase: Preclinical

Molecular Formula: C4H5NO3Se

Molecular Weight: 194.05

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C1N[C@H](C(=O)O)C[Se]1

Standard InChI:  InChI=1S/C4H5NO3Se/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1

Standard InChI Key:  UMKOFBXYTMBOIK-REOHCLBHSA-N

Molfile:  

     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6628   -0.0166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0192    0.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182    1.2666    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
    5.1247    0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1404    1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301    0.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    0.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2493   -0.6770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  3  5  1  1
  6  3  1  0
  7  2  2  0
  8  5  2  0
  9  5  1  0
  6  4  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA2112530

   2-Oxoselenazolidine-4(R)-carboxylic acid

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 194.05

Molecular Weight (Monoisotopic): 194.9435

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References

1. Short MD, Xie Y, Li L, Cassidy PB, Roberts JC..  (2003)  Characteristics of selenazolidine prodrugs of selenocysteine: toxicity and glutathione peroxidase induction in V79 cells.,  46  (15): [PMID:12852761] [10.1021/jm020496q]

Source

Source(1):

• Scientific Literature