1,4-Diaminoanthraquinone - ≥90.0%(N) , CAS No.128-95-0

CAS: 128-95-0 Cat. No.: D154586 Molecular Weight: 238.25 Beilstein Registry Number: 14(4)458 EC Number: 204-922-6

GRADE & PURITY ≥90%(N)

Synonyms

Grasol Violet R | Miketon Fast Red Violet R | 1,4-Diaminoanthraquinone (leuco compound) | BBL034621 | Interchem Acetate Red Violet RRLF | Nacelan Violet 4R | SCHEMBL525762 | Tox21_300683 | Duranol Violet 2R | 9,10-dihydroxy-1,4-anthraquinone diimine | Ace

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Grasol Violet R | Miketon Fast Red Violet R | 1, 4-Diaminoanthraquinone (leuco compound) | BBL034621 | Interchem Acetate Red Violet RRLF | Nacelan Violet 4R | SCHEMBL525762 | Tox21_300683 | Duranol Violet 2R | 9, 10-dihydroxy-1, 4-anthraquinone diimine | Ace

Specifications & Purity

≥90.0%(N)

Storage

Room temperature

Shipped In

Normal

Purity

≥90%(N)

Names and Identifiers

• Pubchem Sid: 488183174
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183174
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N
• IUPAC Name: 1,4-diaminoanthracene-9,10-dione
• InChIKey: FBMQNRKSAWNXBT-UHFFFAOYSA-N
• INCHI: 1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N
• RTECS: CB6300000
• Molecular Weight: 238.25
• Beilstein: 14(4)458
• Reaxy-Rn: 2216556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216556&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Vinylogous amide - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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CSNK1G1 Tchem Casein kinase I gamma 1 (2496 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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CSK Tchem Tyrosine-protein kinase CSK (2395 Activities)

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SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

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CSNK1A1 Tchem Casein kinase I alpha (2581 Activities)

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LYN Tclin Tyrosine-protein kinase Lyn (4251 Activities)

Discover Target: LYN

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DYRK1A Tchem Dual-specificity tyrosine-phosphorylation regulated kinase 1A (6484 Activities)

Discover Target: DYRK1A

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 631 (11415 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-18 (11577 Activities)

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HOP-92 (41141 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Proteus vulgaris (5823 Activities)

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Escherichia coli (133304 Activities)

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Proteus mirabilis (3894 Activities)

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P388 (20296 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive.
• Melt Point(°C): 270°C(lit.)
• Molecular Weight: 238.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 238.074 Da
• Monoisotopic Mass: 238.074 Da
• Topological Polar Surface Area: 86.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yuanyuan Song, Ziqi Wang, Yijing Long, Yang Mao, Feng Jiang, Yuanyuan Lu.  (2022)  2-Alkyl-anthraquinones inhibit Candida albicans biofilm via inhibiting the formation of matrix and hyphae.  RESEARCH IN MICROBIOLOGY,      [PMID:35550403] [10.1016/j.resmic.2022.103955]

2. Youming Zhu, Xudong Zheng, Guomeng Li, Xi Zhang, Lin Guo, Jinfeng Mei, Zhongyu Li.  (2025)  Fabrication of photo-responsive chitosan imprinted aerogels for selective adsorption and green desorption of dysprosium ions.  PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,      [PMID:] [10.1016/j.psep.2025.01.023]

3. Han Qing, Li Zhibo, He Mengyuan, Wei Zhengwen, Song Shuhao, Wang Jiacheng, Wang Wei.  (2025)  Preparation and electrochemical performance of Schiff base polymers (DATP) from 1,4-diaminoanthraquinone and terephthalaldehyde.  JOURNAL OF SOLID STATE ELECTROCHEMISTRY,      [PMID:] [10.1007/s10008-025-06273-6]

4. Yushuang Hong, Zhengpei Nie, Xuelian Tian, Jingfang Sun, Qiuju Zhou, Wenbin Liang, Shihong Chen, Jin Huang, Kejun Tan, Lin Dong.  (2024)  Rare-earth-free up and down-conversion dual-emission carbon dots for Cu2+ sensing.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:39111030] [10.1016/j.saa.2024.124920]