1-[dibromo(butyl)-{4}-tellanyl]-2-[(1R)-1-methoxyethyl]benzene

ID: ALA1684172

PubChem CID: 53326476

Max Phase: Preclinical

Molecular Formula: C13H20Br2OTe

Molecular Weight: 479.71

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCCC[Te](Br)(Br)c1ccccc1[C@@H](C)OC

Standard InChI:  InChI=1S/C13H20Br2OTe/c1-4-5-10-17(14,15)13-9-7-6-8-12(13)11(2)16-3/h6-9,11H,4-5,10H2,1-3H3/t11-/m1/s1

Standard InChI Key:  RWMCKUFFPKPQSJ-LLVKDONJSA-N

Molfile:  

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   13.3652   -4.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3641   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0789   -5.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7953   -4.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7925   -4.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0771   -3.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5054   -3.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5105   -5.2549    0.0000 Te  0  0  0  0  0  4  0  0  0  0  0  0
   15.0917   -5.9667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.9167   -5.9667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.2208   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2145   -4.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9384   -5.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6497   -4.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3673   -5.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9313   -3.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5061   -2.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  8  1  0
  8  9  1  0
  4  5  1  0
  8 10  1  0
  2  3  1  0
  8 11  1  0
  5  6  2  0
  6  1  1  0
 11 13  1  0
  1  2  2  0
 13 14  1  0
  5  7  1  0
 14 15  1  0
  7 12  1  0
 12 16  1  0
  3  4  2  0
  7 17  1  1
M  END

Alternative Forms

1. Parent:

   

   ALA1684172

   1-[dibromo(butyl)-lambda4-tellanyl]-2-[(1R)-1-methoxyethyl]benzene

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: 479.71

Molecular Weight (Monoisotopic): 479.8943

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References

1. Piovan L, Alves MF, Juliano L, Brömme D, Cunha RL, Andrade LH..  (2011)  Structure-activity relationships of hypervalent organochalcogenanes as inhibitors of cysteine cathepsins V and S.,  19  (6): [PMID:21345684] [10.1016/j.bmc.2011.01.054]

2. Piovan L, Milani P, Silva MS, Moraes PG, Demasi M, Andrade LH..  (2014)  20S proteasome as novel biological target for organochalcogenanes.,  73  [PMID:24463395] [10.1016/j.ejmech.2013.12.011]

Source

Source(1):

• Scientific Literature