Chlorquinaldol(DCM) - Moligand™, ≥98% , CAS No.72-80-0

CAS: 72-80-0 Cat. No.: C129563 Summenformel: C₁₀H₇Cl₂NO Molekulargewicht: 228.07 Beilstein Registry Number: 156683 EG-Nummer: 200-789-3

GRADE & PURITY Moligand™, ≥98%

Synonyms

BCM | BDBM76302 | Chlorquinaldol (INN) | NSC755830 | NSC-755830 | 5,7-Dichloro-8-hydroxy-2-methylquinoline | DB13306 | Steroxin | Chlorquinaldolum | Clorquinaldol [INN-Spanish] | MFCD00023984 | s10253 | MLS002695929 | KBio3_001984 | DTXCID3028924 | EN300-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

BCM | BDBM76302 | Chlorquinaldol (INN) | NSC755830 | NSC-755830 | 5,7-Dichloro-8-hydroxy-2-methylquinoline | DB13306 | Steroxin | Chlorquinaldolum | Clorquinaldol [INN-Spanish] | MFCD00023984 | s10253 | MLS002695929 | KBio3_001984 | DTXCID3028924 | EN300-

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Antibiotic agent. Shows antifungal, antiparasitic and bacteriostatic effects against Gram-negative bacteria in vivo.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.5

Namen und Kennungen

• Pubchem Sid: 504751058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751058
• Kanonisches Lächeln: CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
• IUPAC Name: 5,7-dichloro-2-methylquinolin-8-ol
• InChIKey: GPTXWRGISTZRIO-UHFFFAOYSA-N
• INCHI: 1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
• Isomere SMILES: CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
• WGK Deutschland: 3
• RTECS: VC5600000
• Molekulargewicht: 228.07
• Beilstein: 156683
• Reaxy-Rn: 156683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: 8-hydroxyquinolines Methylpyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - 8-hydroxyquinoline - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• External Descriptors: organochlorine compound - monohydroxyquinoline

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

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

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APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Vero (26788 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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botA Botulinum neurotoxin type A (1303 Activities)

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Plasma (328 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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RPL19A 60S ribosomal protein L19-A (106 Activities)

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APE1 Vacuolar aminopeptidase 1 (9 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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Liver microsome (341 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO 46 mg/mL Water <1 mg/mL Ethanol 6 mg/mL
• Schmelzpunkt (°C): 108-112°C
• Molekulargewicht: 228.070 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 226.99 Da
• Monoisotopic Mass: 226.99 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 214.000
• 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

Referenzen

1. Jia-Cheng Qin, Xiao-Ping Tan, Ying-Jie Jin, Guang-Shuo Wang, Shen-Ye Qu, Peng-Fei Li, Gao-Xue Wang, Fei Ling.  (2025)  Chlorchinaldol: A promising antiviral agent against iridoviruses in fish.  AQUACULTURE,      [PMID:] [10.1016/j.aquaculture.2025.742785]