7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid

Endpoint summary

Description of key information

Bioaccumulation:aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  (CAS No.68189-39-9) is 3.162L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  is non bioaccumulative in food chain.

Additional information

Bioaccumulation:aquatic/sediments:

Various predicted data for the target compound7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  (CAS No.68189-39-9)and supporting weight of evidence study for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:

First weight of evidence studies for target chemical 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  (CAS No.68189-39-9) done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2017) in this study the estimated bio concentration factor (BCF) for target chemical is 3.162L/kg wet-wt at 25 deg. c

 

Second weight of evidence study was done by Using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Develpoment /I lab predictive module (2017) in this study the Bio-concentration Factor at range pH 1-14  of the test chemical 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid (CAS no.68189 -39 -9) estimated to be 1.0 dimensionless.

Third weight of evidence study was done by using Scifinder database of American Chemical Society ( ACS, 2017) in this study the Bioconcentration factor (BCF) for test chemical 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid   was predicted in aquatic organisms by at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance at pH 1-10 and temperature 25 °C was estimated to be 1.0 dimensionless.  

 

Fourth weight of evidence study was done by using Chemspider- ACD/PhysChem Suite of Royal Society of Chemistry, 2017 in this study the Bioconcentration factor (BCF) for test chemical 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  (CAS No: 68189-39-9) was predicted in aquatic organisms by  at pH 5.5 and pH 7.4. The Bioconcentration factor (BCF) of test chemical at pH 5.5 and pH 7.4 was estimated to be 1.0 dimensionless. 

 

Next study was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)  the bioaccumulation i.e BCF for test substance 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid was estimated to be 2.31 dimensionless. The predicted BCF result was based on the 5 OECD principles.

 

Last weight of evidence study was done for structurally similar read across chemical chemical2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)(CAS no 17095-24-8) from authoritative database J check, 2017 in this study the Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical on test organism Cyprinus carpio. In this test Recovery ratio used was Test water: 1st concentration area: 98.4 %, 2nd concentration area : 95.4 %, Fish : 62.2 %, - Limit of detection : Test water 1st concentration area : 0.15 ppm, 2nd concentration area : 0.016 ppm, Fish : 2.1 ppm and

Nominal concentrations used in the study are 1st Concentration area: 2.0 mg/L, 2nd Concentration area: 0.2 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) >= 1000 ppm(w/v). The lipid content of fish was 4.7 %.

Thus according to static Fish Test the BCF value 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4) was observed to be≤ 1.1 L/kg at dose concentration 2.0 mg/L and ≤ 11 L/kg at dose concentration 0.2 mg/L  on the basis of lipid content on test organism Cyprinus carpio during 6 weeks period. These BCF values indicate that the read across substance 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4) is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.

 

On the basis of above results for target chemical 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  (from EPI suite, ACD labs, Sci Finder database, Chemspider and CompTox Chemistry Dashboard, 2017) and for its read across chemicals (From J check) it can be concluded that the BCF value of test substance 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  ranges from 1 to 3.162 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 7-acetamido-4-hydroxy-3-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]naphthalene-2-sulfonic acid  is expected to be non bioaccumulative in the food chain.