5-formylthiophen-2-ylboronic acid

ID: ALA583965

Cas Number: 4347-33-5

PubChem CID: 2773430

Product Number: S26032, Order Now?

Max Phase: Preclinical

Molecular Formula: C5H5BO3S

Molecular Weight: 155.97

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=Cc1ccc(B(O)O)s1

Standard InChI:  InChI=1S/C5H5BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H

Standard InChI Key:  DEQOVKFWRPOPQP-UHFFFAOYSA-N

Molfile:  

     RDKit          2D

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.1768   -9.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619   -9.8073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120   -9.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2273   -8.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4039   -8.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -9.6307    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.7692   -9.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596  -10.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3053   -9.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8974   -8.9502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0
  1  2  1  0
  1  6  1  0
  6  7  1  0
  2  3  1  0
  6  8  1  0
  3  4  2  0
  3  9  1  0
  4  5  1  0
  9 10  2  0
M  END

Alternative Forms

1. Parent:

   

   ALA583965

   5-Formyl-2-thiopheneboronic 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: 155.97

Molecular Weight (Monoisotopic): 156.0052

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References

1. Inglis SR, Zervosen A, Woon EC, Gerards T, Teller N, Fischer DS, Luxen A, Schofield CJ..  (2009)  Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.,  52  (19): [PMID:19731939] [10.1021/jm9009718]

Source

Source(1):

• Scientific Literature