SKF-525A Hydrochloride - 10mM in DMSO , CAS No.62-68-0

CAS: 62-68-0 Cat. No.: S425181 Peso molecular: 389.96 Número EC: 688-917-8 PubChem CID: 65341

GRADE & PURITY 10mM in DMSO

Synonyms

SKF-525A | [SKF-525A] | NCGC00094220-01 | NCGC00261591-01 | A868400 | NSC170997 | NSC-170997 | SKF 525A | SKF 525-A | 2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochloride | SK&F 525-A | SKF-525A, Hydrochloride - CAS 62-68-0 | 2-Diethylaminoethyl 2,2

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

SKF-525A HCl (Proadifen) has many biochemical functions, some of which include: inhibitory effects on NOS1 (neuronal nitric oxide synthase; IC50 = 90 mM), adult mouse skeletal muscle AChR (acetyl choline receptor), hepatic drug metabolism via the CYP (cytochrome P450) system, CYP-dependent (cytochrome P450-dependent) arachidonate metabolism (90% at 50 μM), transmembrane calcium influx, and platelet thromboxane synthesis. This compound has also been shown to block KIR6.1 (ATP-sensitive inward rectifier potassium channel 8; IC50 = 4.4 mM) and stimulate endothelial cell prostacyclin production.
An inhibitor of NOS1, AChR, cytochrome P-450, and KIR6.1.

Specifications

Sinónimos

SKF-525A | [SKF-525A] | NCGC00094220-01 | NCGC00261591-01 | A868400 | NSC170997 | NSC-170997 | SKF 525A | SKF 525-A | 2-(diethylamino)ethyl 2, 2-diphenylpentanoate;hydrochloride | SK&F 525-A | SKF-525A, Hydrochloride - CAS 62-68-0 | 2-Diethylaminoethyl 2, 2

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Blocks glibenclamide-sensitive K+ channels. Inhibits neuronal nitric oxide synthase and cytochrome P450.Cytochrome P450 inhibitor (IC 50 = 19μM). Apoptosis inducer. Active in vitro and in vivo .

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.Cl
• IUPAC Name: 2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochloride
• InChIKey: FHIKZROVIDCMJA-UHFFFAOYSA-N
• INCHI: 1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H
• Isómeros SMILES: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.Cl
• PubChem CID: 65341
• Peso molecular: 389.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Fatty acid esters Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Fatty acid ester - Fatty acyl - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 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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Liver (3974 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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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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LMNA Tbio Prelamin-A/C (36751 Activities)

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BLM Tchem Bloom syndrome protein (4248 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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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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

Discover Target: SLCO1B3

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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

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Objetivos asociados (no humanos)

Cyp2b1 Cytochrome P450 2B1 (145 Activities)

Discover Target: Cyp2b1

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Plasmodium falciparum (966862 Activities)

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Plasmodium berghei (192651 Activities)

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Cavia porcellus (23802 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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8238086 Cytochrome P450 (0 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 122-123 °C
• Peso molecular: 390.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 389.212 Da
• Monoisotopic Mass: 389.212 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 375.000
• 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: 2

XLogP3

Referencias

1. Huanhuan Yang, Cong Liu, Chuanhong Zhu, Yan Zheng, Juan Li, Qianyun Zhu, Hao Wang, Xiangming Fang, Quan Liu, Man Liang, Zilong Liu.  (2023)  Determination of ten antipsychotics in blood, hair and nails: Validation of a LC–MS/MS method and forensic application of keratinized matrix analysis.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:37406464] [10.1016/j.jpba.2023.115557]

2. Shan Zhang, Shunqin Chen, Faze Zhu, Aimin Wang, Bing Xia, Jie Wang, Jiang Huang, Yubo Liu, Peng Luo.  (2023)  Rapid determination of five common toxic alkaloids in blood by UPLC–MRM–IDA–EPI: Application to poisoning case.  Legal Medicine,      [PMID:37201269] [10.1016/j.legalmed.2023.102267]