Triphenylantimony

Basic Info

Common NameTriphenylantimony(F04419)
2D Structure
Description

Triphenylantimony is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808)

FRCD IDF04419
CAS Number603-36-1
PubChem CID11777
FormulaC18H15Sb
IUPAC Name

triphenylstibane

InChI Key

HVYVMSPIJIWUNA-UHFFFAOYSA-N

InChI

InChI=1S/3C6H5.Sb/c3*1-2-4-6-5-3-1;/h3*1-5H;

Canonical SMILES

C1=CC=C(C=C1)[Sb](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[Sb](C2=CC=CC=C2)C3=CC=CC=C3

Synonyms
        
            Trifenylstibin [Czech]
        
            Triphenylantimony
        
            TRIPHENYLSTIBINE
        
            603-36-1
        
            Stibine, triphenyl-
        
            Triphenylstibane
        
            Trifenylstibin
        
            Triphenyl stibine
        
            UNII-G1X1263AMM
        
            CCRIS 1300
Classifies
                

                  
                    Pollutant
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNot available
Intermediate Tree NodesNot available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Molecular FrameworkAromatic homomonocyclic compounds
SubstituentsMetal aryl - Monocyclic benzene moiety - Organic antimony salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organometallic compound - Organoantimony compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Properties

Property NameProperty Value
Molecular Weight353.078
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Complexity202
Monoisotopic Mass352.021
Exact Mass352.021
Formal Charge0
Heavy Atom Count19
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9748
Human Intestinal AbsorptionHIA+0.9944
Caco-2 PermeabilityCaco2+0.8669
P-glycoprotein SubstrateNon-substrate0.8061
P-glycoprotein InhibitorNon-inhibitor0.9465
Non-inhibitor0.9802
Renal Organic Cation TransporterNon-inhibitor0.7826
Distribution
Subcellular localizationMitochondria0.5559
Metabolism
CYP450 2C9 SubstrateNon-substrate0.7917
CYP450 2D6 SubstrateNon-substrate0.9002
CYP450 3A4 SubstrateNon-substrate0.7774
CYP450 1A2 InhibitorNon-inhibitor0.5815
CYP450 2C9 InhibitorNon-inhibitor0.7841
CYP450 2D6 InhibitorNon-inhibitor0.9294
CYP450 2C19 InhibitorNon-inhibitor0.7297
CYP450 3A4 InhibitorNon-inhibitor0.9143
CYP Inhibitory PromiscuityHigh CYP Inhibitory Promiscuity0.6587
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9401
Non-inhibitor0.9203
AMES ToxicityNon AMES toxic0.9601
CarcinogensNon-carcinogens0.5542
Fish ToxicityHigh FHMT0.9315
Tetrahymena Pyriformis ToxicityHigh TPT0.9931
Honey Bee ToxicityHigh HBT0.6564
BiodegradationNot ready biodegradable0.8567
Acute Oral ToxicityIII0.7665
Carcinogenicity (Three-class)Warning0.4758
Model Value Unit
Absorption
Aqueous solubility-4.8727LogS
Caco-2 Permeability1.9596LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity2.2662LD50, mol/kg
Fish Toxicity0.7606pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.7452pIGC50, ug/L

Targets

Target Details

Glutathione S-transferase theta-4

Uniprot ID:
A8MPT4
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase A2

General Function:
Glutathione transferase activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTA2
Uniprot ID:
P09210
Molecular Weight:
25663.675 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase A5

General Function:
Glutathione transferase activity
Gene Name:
GSTA5
Uniprot ID:
Q7RTV2
Molecular Weight:
25721.725 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase Mu 1

General Function:
Protein homodimerization activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM1
Uniprot ID:
P09488
Molecular Weight:
25711.555 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase Mu 2

General Function:
Receptor binding
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM2
Uniprot ID:
P28161
Molecular Weight:
25744.395 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase Mu 3

General Function:
Protein homodimerization activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. May govern uptake and detoxification of both endogenous compounds and xenobiotics at the testis and brain blood barriers.
Gene Name:
GSTM3
Uniprot ID:
P21266
Molecular Weight:
26559.32 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase Mu 4

General Function:
Protein homodimerization activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Active on 1-chloro-2,4-dinitrobenzene.
Gene Name:
GSTM4
Uniprot ID:
Q03013
Molecular Weight:
25561.095 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase Mu 5

General Function:
Glutathione transferase activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM5
Uniprot ID:
P46439
Molecular Weight:
25674.455 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase P

General Function:
S-nitrosoglutathione binding
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Regulates negatively CDK5 activity via p25/p35 translocation to prevent neurodegeneration.
Gene Name:
GSTP1
Uniprot ID:
P09211
Molecular Weight:
23355.625 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase kappa 1

General Function:
Receptor binding
Specific Function:
Significant glutathione conjugating activity is found only with the model substrate, 1-chloro-2,4-dinitrobenzene (CDNB).
Gene Name:
GSTK1
Uniprot ID:
Q9Y2Q3
Molecular Weight:
25496.625 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase omega-1

General Function:
Oxidoreductase activity
Specific Function:
Exhibits glutathione-dependent thiol transferase and dehydroascorbate reductase activities. Has S-(phenacyl)glutathione reductase activity. Has also glutathione S-transferase activity. Participates in the biotransformation of inorganic arsenic and reduces monomethylarsonic acid (MMA) and dimethylarsonic acid.
Gene Name:
GSTO1
Uniprot ID:
P78417
Molecular Weight:
27565.6 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase omega-2

General Function:
Oxidoreductase activity
Specific Function:
Exhibits glutathione-dependent thiol transferase activity. Has high dehydroascorbate reductase activity and may contribute to the recycling of ascorbic acid. Participates in the biotransformation of inorganic arsenic and reduces monomethylarsonic acid (MMA).
Gene Name:
GSTO2
Uniprot ID:
Q9H4Y5
Molecular Weight:
28253.52 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase theta-2

General Function:
Glutathione transferase activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Has a sulfatase activity.
Gene Name:
GSTT2
Uniprot ID:
P0CG29
Molecular Weight:
27505.775 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Maleylacetoacetate isomerase

General Function:
Protein homodimerization activity
Specific Function:
Bifunctional enzyme showing minimal glutathione-conjugating activity with ethacrynic acid and 7-chloro-4-nitrobenz-2-oxa-1,3-diazole and maleylacetoacetate isomerase activity. Has also low glutathione peroxidase activity with T-butyl and cumene hydroperoxides. Is able to catalyze the glutathione dependent oxygenation of dichloroacetic acid to glyoxylic acid.
Gene Name:
GSTZ1
Uniprot ID:
O43708
Molecular Weight:
24212.005 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Microsomal glutathione S-transferase 1

General Function:
Glutathione transferase activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Has a wide substrate specificity.
Gene Name:
MGST1
Uniprot ID:
P10620
Molecular Weight:
17598.45 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Microsomal glutathione S-transferase 2

General Function:
Leukotriene-c4 synthase activity
Specific Function:
Can catalyze the production of LTC4 from LTA4 and reduced glutathione. Can catalyze the conjugation of 1-chloro-2,4-dinitrobenzene with reduced glutathione.
Gene Name:
MGST2
Uniprot ID:
Q99735
Molecular Weight:
16620.4 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Microsomal glutathione S-transferase 3

General Function:
Peroxidase activity
Specific Function:
Also functions as a glutathione peroxidase.
Gene Name:
MGST3
Uniprot ID:
O14880
Molecular Weight:
16516.185 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase A1

General Function:
Glutathione transferase activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTA1
Uniprot ID:
P08263
Molecular Weight:
25630.785 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase A3

General Function:
Glutathione transferase activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Catalyzes isomerization reactions that contribute to the biosynthesis of steroid hormones. Efficiently catalyze obligatory double-bond isomerizations of delta(5)-androstene-3,17-dione and delta(5)-pregnene-3,20-dione, precursors to testosterone and progesterone, respectively.
Gene Name:
GSTA3
Uniprot ID:
Q16772
Molecular Weight:
25301.355 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol
Target Details

Glutathione S-transferase theta-1

General Function:
Glutathione transferase activity
Specific Function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Acts on 1,2-epoxy-3-(4-nitrophenoxy)propane, phenethylisothiocyanate 4-nitrobenzyl chloride and 4-nitrophenethyl bromide. Displays glutathione peroxidase activity with cumene hydroperoxide.
Gene Name:
GSTT1
Uniprot ID:
P30711
Molecular Weight:
27334.755 Da
Mechanism of Action:
Trivalent antimony inhibits glutathione-S-transferases from human erythrocytes, reducing their detoxification ability.
References
  1. Wikipedia. Ethanol. Last Updated 15 May 2009. : http://en.wikipedia.org/wiki/Ethanol