3,5-diamino-2,4-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[(2-sulfophenyl)diazenyl]benzoic acid (CED0299695)

Record Information
Version1.0
Creation Date2026-08-31 13:57:00 UTC
Update Date2026-08-31 13:57:00 UTC
Accession NumberCHEM345264
Identification
Common Name3,5-diamino-2,4-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[(2-sulfophenyl)diazenyl]benzoic acid
ClassSmall Molecule
Description
3,5-diamino-2,4-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[(2-sulfophenyl)diazenyl]benzoic acid has the chemical formula C29H28N8O17S5. With an average molecular weight of 920.90 g/mol, 3,5-diamino-2,4-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[(2-sulfophenyl)diazenyl]benzoic acid is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC29H28N8O17S5
Average Molecular MassNot Available
Monoisotopic Mass920.018 g/mol
CAS Registry Number292827-64-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC=C(C(=C1)N=NC2=C(C(=C(C(=C2C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)N)S(=O)(=O)O
InChI IdentifierInChI=1S/C29H28N8O17S5/c30-24-26(35-32-17-5-9-19(10-6-17)55(40,41)15-13-53-58(47,48)49)23(29(38)39)27(36-34-21-3-1-2-4-22(21)57(44,45)46)25(31)28(24)37-33-18-7-11-20(12-8-18)56(42,43)16-14-54-59(50,51)52/h1-12H,13-16,30-31H2,(H,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52)
InChI KeyAYOPDCHMPRJLPX-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
7179.0Log mg/kg[4000:13000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)93.5748
Sentrin-specific protease 2 structureClick to view 3D structureSentrin-specific protease 2Q9HC62HumansPredicted (SEA)2.10193
Alpha-(1,6)-fucosyltransferase structureClick to view 3D structureAlpha-(1,6)-fucosyltransferaseQ9BYC5HumansPredicted (SEA)0.389246
Click to view 3D structureSentrin-specific protease 3Q9H4L4HumansPredicted (SEA)0.700643
Click to view 3D structureTransitional endoplasmic reticulum ATPaseQ01853Mus musculusPredicted (SEA)1.16774
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)423.344
Click to view 3D structureReplication protein E1P04014human papillomavirus 11Predicted (SEA)26.9358
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)636.807
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)955.677
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)637.819
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)879.774
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)800.601
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)1222.47
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)145.344
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)777.402
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1183.07
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)1064.04
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)772.654
Sentrin-specific protease 1 structureClick to view 3D structureSentrin-specific protease 1Q9P0U3HumansPredicted (SEA)40.0145
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1377.15
Matrix metalloproteinase-16 structureClick to view 3D structureMatrix metalloproteinase-16P51512HumansPredicted (SEA)214.786
Click to view 3D structurePROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)P96878Mycobacterium tuberculosisPredicted (SEA)208.091
CREB-binding protein structureClick to view 3D structureCREB-binding proteinQ92793HumansPredicted (SEA)292.557
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)1164.08
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)1451.42
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available