Cinchophen - ≥97% , CAS No.132-60-5

CAS: 132-60-5 Cat. No.: C129559 Molecular Weight: 249.26 Beilstein Registry Number: 22(5)3,484 EC Number: 205-067-1

GRADE & PURITY ≥97%

Synonyms

CINCHOPHEN [HSDB] | Cincofene | HMS3369G13 | Oprea1_652483 | Artamin | 2-Phenylcinchonic acid | Aciphenochinoline | Cinchophen (BAN) | Cinchophene [INN-French] | Agotan | Alutyo | WLN: T66 BNJ CR & EVQ | 2-Phenylquinolinecarboxylic acid-(4) | Aciphenochin

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

CINCHOPHEN [HSDB] | Cincofene | HMS3369G13 | Oprea1_652483 | Artamin | 2-Phenylcinchonic acid | Aciphenochinoline | Cinchophen (BAN) | Cinchophene [INN-French] | Agotan | Alutyo | WLN: T66 BNJ CR & EVQ | 2-Phenylquinolinecarboxylic acid-(4) | Aciphenochin

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Non-steroidal analgesic, antipyretic and anti-inflammatory drug used in animals. Powerful antimicrobial agent. No longer used in humans as can cause serious liver damage.

Storage

Protected from light, Room temperature

Shipped In

Normal

Note

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.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488180839
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180839
• Canonical Smiles: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
• IUPAC Name: 2-phenylquinoline-4-carboxylic acid
• InChIKey: YTRMTPPVNRALON-UHFFFAOYSA-N
• INCHI: 1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
• WGK Germany: 3
• RTECS: GD4025000
• Molecular Weight: 249.26
• Beilstein: 22(5)3,484
• Reaxy-Rn: 192803
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=192803&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Quinoline carboxylic acids Phenylpyridines Pyridinecarboxylic acids Benzene and substituted derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Quinoline-4-carboxylic acid - 2-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This 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

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)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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EPRS1 Tchem Aminoacyl-tRNA synthetase (38 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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SELPLG Tbio P-selectin glycoprotein ligand 1 (134 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Homo sapiens (32628 Activities)

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MIA PaCa-2 (5949 Activities)

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HCT-116 (91556 Activities)

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HEK293 (82097 Activities)

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PDE10A Tclin Phosphodiesterase 10A (5542 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Associated Targets(non-human)

murA UDP-N-acetylglucosamine 1-carboxyvinyltransferase (389 Activities)

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PRS Prolyl-tRNA synthetase (32 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Plasma (328 Activities)

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

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in acetone (1:40), chloroform (1:400), alcohol (1:120), ether (1:100), alkali hydroxides and carbonates.
• Sensitivity: Light sensitive
• Melt Point(°C): 215 °C
• Molecular Weight: 249.260 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.079 Da
• Monoisotopic Mass: 249.079 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 325.000
• 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