Ethacridine lactate - ≥98% , CAS No.1837-57-6

CAS: 1837-57-6 Cat. No.: E413197 分子式: C₁₈H₂₁N₃O₄ 分子量: 343.39 EC番号: 217-408-1

グレード＆純度 ≥98%

Synonyms

A0136 | CCG-213965 | NCGC00096056-01 | Ethodin | HMS3264O11 | Lactic acid,9-diamino-2-ethoxyacridine (1:1) | NCGC00096056-02 | Rivanol | Ethacridine (lactate) | 2-Ethoxy-6,9-diaminoacridine lactate | 2-Aethoxy-6,9-diaminoacridinlactat | 7-ethoxy-3,9-acrid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Ethacridine lactate Ethacridine lactate (Acrinol) is an aromatic organic compound based on acridine used as an antiseptic agent. Ethacridine lactate is also a poly(ADP-ribose) glycohydrolase (PARG) inhibitor.

Targets

PARG

仕様

同義語

A0136 | CCG-213965 | NCGC00096056-01 | Ethodin | HMS3264O11 | Lactic acid,9-diamino-2-ethoxyacridine (1:1) | NCGC00096056-02 | Rivanol | Ethacridine (lactate) | 2-Ethoxy-6,9-diaminoacridine lactate | 2-Aethoxy-6,9-diaminoacridinlactat | 7-ethoxy-3,9-acrid

仕様と純度

≥98%

生化学的・生理学的メカニズム

Ethacridine lactate (Acrinol) is an aromatic organic compound based on acridine used as an antiseptic agent. Ethacridine lactate is also a poly(ADP-ribose) glycohydrolase (PARG) inhibitor.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488182176

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182176

カノニカル・スマイル

CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O

IUPAC Name

7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid

InChIKey

IYLLULUTZPKQBW-UHFFFAOYSA-N

INCHI

1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)

異性体SMILES

CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O

分子量

343.39

Reaxy-Rn

3642805

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3642805&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: 4-aminoquinolines Aminopyridines and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Acridine - 4-aminoquinoline - Aminoquinoline - Alkyl aryl ether - Aminopyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• External Descriptors: organic molecular entity

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

関連ターゲット（人間）

VDR Tclin Vitamin D receptor (26531 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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SLC2A1 Tchem Glucose transporter (14755 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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Raji (5516 Activities)

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BJ (6930 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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関連ターゲット（非人間）

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Proteus vulgaris (5823 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Trypanosoma brucei (78846 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania major (2877 Activities)

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Toxoplasma gondii (4585 Activities)

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ht1 Hexose transporter 1 (14071 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Bacillus spizizenii (1898 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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FTL Ferritin light chain (43324 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 69 mg/mL (200.94 mM); Water: 69 mg/mL (200.94 mM); Ethanol: 20 mg/mL
• 感度: Moisture sensitive
• 分子量: 343.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 343.153 Da
• Monoisotopic Mass: 343.153 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 371.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1837-57-6, the molecular formula is C18H21N3O4, and the molecular weight is 343.39 g/mol. InChIKey IYLLULUTZPKQBW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.