Bathocuproinedisulfonic acid disodium salt hydrate , CAS No.1257642-74-2

CAS: 1257642-74-2 Cat. No.: B486593 Molecular Weight: 564.54 (anhydrous basis) PubChem CID: 71306850
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Synonyms
2,9-DIMETHYL-4,7-DIPHENYL-1,10-PHENANTHROLINEDISULFONIC ACID, DISODIUM SALT HYDRATE | Disodium bathocuproine disulfonate | J-005285 | disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate;hydrate
Storage
Room temperature
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250mg
B486593-250mg
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1g
B486593-1g
2

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$453.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Bathocuproine disulfonic acid (BCDS) is a stable Cu+chelator and BCDS-Cu+inhibits the HIV-1 wild type protease as well as a mutant HIV-1 protease lacking cysteine. It is an extracellular copper chelator.Bathocuproinedisulfonic acid disodium salt hydrate was used as chelator in electron spin resonance spin trapping technique to study free radical generation in rats with acute sodium formate poisoning. It was used as reagent for determination of Cu and Cu-protein complexes.

Specifications

Synonyms
2, 9-DIMETHYL-4, 7-DIPHENYL-1, 10-PHENANTHROLINEDISULFONIC ACID, DISODIUM SALT HYDRATE | Disodium bathocuproine disulfonate | J-005285 | disodium;2, 9-dimethyl-4, 7-diphenyl-1, 10-phenanthroline-3, 8-disulfonate;hydrate
Storage
Room temperature
Names and Identifiers
Pubchem Sid488202189
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488202189
Canonical SmilesCC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].O.[Na+].[Na+]
IUPAC Namedisodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate;hydrate
InChIKeyZAGWMJUGRCMNGX-UHFFFAOYSA-L
INCHI1S/C26H20N2O6S2.2Na.H2O/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;;1H2/q;2*+1;/p-2
Isomeric SMILES CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].O.[Na+].[Na+]
WGK Germany 3
PubChem CID 71306850
Molecular Weight 564.54 (anhydrous basis)

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassPhenylquinolines
Intermediate Tree Nodes Not available
Direct ParentPhenylquinolines
Alternative Parents Phenanthrolines  Phenylpyridines  Arylsulfonic acids and derivatives  Methylpyridines  Benzene and substituted derivatives  Sulfonyls  Organosulfonic acids  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organic sodium salts  Organic oxides  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Arylsulfonic acid or derivatives - Methylpyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organic alkali metal salt - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic salt - Organic sodium salt - Organic cation - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot NumberCertificate TypeDateItem
D2623241Certificate of AnalysisMar 11, 2026 B486593
D2623242Certificate of AnalysisMar 11, 2026 B486593
F2309241Certificate of AnalysisMar 11, 2026 B486593
F2309244Certificate of AnalysisMar 11, 2026 B486593
I2512249Certificate of AnalysisAug 23, 2025 B486593
I2512250Certificate of AnalysisAug 23, 2025 B486593
C2504410Certificate of AnalysisFeb 22, 2025 B486593
C2504411Certificate of AnalysisFeb 22, 2025 B486593
C2414332Certificate of AnalysisFeb 24, 2024 B486593
C2414333Certificate of AnalysisFeb 24, 2024 B486593
C2414334Certificate of AnalysisFeb 24, 2024 B486593
C2414335Certificate of AnalysisFeb 24, 2024 B486593
F2309240Certificate of AnalysisApr 10, 2023 B486593
F2309242Certificate of AnalysisApr 10, 2023 B486593

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Chemical and Physical Properties
Molecular Weight582.600 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass582.051 Da
Monoisotopic Mass582.051 Da
Topological Polar Surface Area158.000 Ų
Heavy Atom Count39
Formal Charge0
Complexity874.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count4
Citations of This Product
References
1. Wu Haibin, Liu Shoupei, Chen Sen, Qin Changlu, Yan Wenjiao, Cao Xiangting, Zhou Yongjian, Duan Yuyou.  (2026)  Generation of proliferative hESC-derived grape-clustered hepatocyte organoids with multipolar architecture as regenerative counterpart via synergy of YAP and IGF2 pathways.  Cell Death & Disease,      [PMID:] [10.1038/s41419-026-08635-y]
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