4,4'-Diaminostilbene-2,2'-disulfonic Acid - ≥94% , CAS No.81-11-8

CAS: 81-11-8 Cat. No.: D155083 Molecular Weight: 370.39 EC Number: 201-325-2

GRADE & PURITY ≥94%

Synonyms

SR-01000944844 | UNII-H68088WVJL | 2,2'-(1,2-Ethylenediyl)bis(5-aminobenzenesulfonic acid) | CAS-81-11-8 | 4-4'-Diamino-2,2'-stilbenedisulphonic acid | Tox21_112127_1 | 2,2'-Disulfo-4,4'-stilbenediamine | SCHEMBL38871 | 2,2'-(1,2-Ethenediyl)bis(5-amino-be

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SR-01000944844 | UNII-H68088WVJL | 2, 2'-(1, 2-Ethylenediyl)bis(5-aminobenzenesulfonic acid) | CAS-81-11-8 | 4-4'-Diamino-2, 2'-stilbenedisulphonic acid | Tox21_112127_1 | 2, 2'-Disulfo-4, 4'-stilbenediamine | SCHEMBL38871 | 2, 2'-(1, 2-Ethenediyl)bis(5-amino-be

Specifications & Purity

≥94%

Storage

Room temperature

Shipped In

Normal

Purity

≥94%

Names and Identifiers

• Pubchem Sid: 488195281
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195281
• Canonical Smiles: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
• IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
• InChIKey: REJHVSOVQBJEBF-OWOJBTEDSA-N
• INCHI: 1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+
• Isomeric SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)O
• RTECS: WJ6603000
• Molecular Weight: 370.39
• Reaxy-Rn: 629516
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=629516&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes
      • Subclass Sulfonated stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Sulfonated stilbenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonated stilbenes
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Styrenes Aniline and substituted anilines Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfonated stilbene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Styrene - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ddn Putative uncharacterized protein (49 Activities)

Discover Target: ddn

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Soluble in Ether,Alcohol
• Sensitivity: light sensitive
• Melt Point(°C): ≥300℃
• Molecular Weight: 370.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 370.029 Da
• Monoisotopic Mass: 370.029 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 606.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Jiapei Li, Peng Chen, Jing Zhang, Qing Ji, Ming Yang, Yudai Huang, Ya-Jun Cheng, Kunkun Guo, Yonggao Xia.  (2023)  Having Your Cake and Eating It Too: Electrode Processing Approach Improves Safety and Electrochemical Performance of Lithium-Ion Batteries.  ACS Applied Materials & Interfaces,      [PMID:36918149] [10.1021/acsami.3c00636]

2. Yansu Lan, Die Zhou, Longhuan Lai, Huanhuan Qi, Lei Xia, Stef Depuydt, Bart Van der Bruggen, Yan Zhao.  (2022)  A monovalent selective anion exchange membrane made by poly(2,6-dimethyl-1,4-phenyl oxide) for bromide recovery.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122377]

3. Lei Wang, Qiumeng Zheng, Peilong Xu, Yunjing Li, Yeqiang Tan, Rui Wang, Longyun Hao.  (2021)  Amphiphilic alginate stabilized UV-curable polyurethane acrylate as a surface coating to improve the anti-wrinkle performance of cotton fabrics.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2021.106595]

4. Ye Wei, Xuejie Yu, Ping Wang, Yuanyuan Yu, Jiugang Yuan, Qiang Wang, Xuerong Fan.  (2021)  Antibacterial Functionalization of Silk Fabrics following in Situ Coloring with Diazo Salts.  Journal of Natural Fibers,      [PMID:] [10.1080/15440478.2019.1701605]

5. Lingwei Li, Jiale Zhao, Yijiao Zhang, Yao Wang, Yanming Wang, Bihai Su, Feibo Li, Linlin Shi, Ping Li, Zhixiao Zhang, Xiaoliang Zhang, Jingbo Mu, Yu Dong.  (2024)  Construction of proton exchange membrane with high proton conductivity based on 3D self-assembly structures as multiple proton transport channels.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2024.11.355]