Diltiazem - ≥99% , Voltage-gated L-type calcium channel blocker, CAS No.33286-22-5, Voltage-gated L-type calcium channel blocker

CAS: 33286-22-5 Cat. No.: D276586 Summenformel: C₂₂H₂₆N₂O₄S·HCl Molekulargewicht: 450.98 EG-Nummer: 251-443-3

GRADE & PURITY ≥99%

Synonyms

(+)-cis-Diltiazem hydrochloride | Britiazim | Farmabes | Myonil | Cardizem Retard | Gadoserin | Presoken | Dinisor Retard | Cardizem LA | Diltan | Miocardie | Bruzem | Diltiasyn | Diltiazem GNR | Tiadil | Mono-Tildiem | Syn-Diltiazem | Apo-diltiazem | Ang

Storage

Room temperature

Shipped In

Normal

Übersicht

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Synonyme

(+)-cis-Diltiazem hydrochloride | Britiazim | Farmabes | Myonil | Cardizem Retard | Gadoserin | Presoken | Dinisor Retard | Cardizem LA | Diltan | Miocardie | Bruzem | Diltiasyn | Diltiazem GNR | Tiadil | Mono-Tildiem | Syn-Diltiazem | Apo-diltiazem | Ang

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

L-type Ca 2+ channel antagonist. Coronary vasodilator. Soluble in 1 ml water to give specified mM/ml concentration. Find out more.

Storage

Room temperature

Verschickt in

Normal

Aktionsart

BLOCKER

Mechanismus der Wirkung

Voltage-gated L-type calcium channel blocker

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

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
• IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
• InChIKey: HDRXZJPWHTXQRI-BHDTVMLSSA-N
• INCHI: 1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1
• Isomere SMILES: CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
• WGK Deutschland: 3
• RTECS: DL0310000
• Alternative CAS-Nummer: 42399-41-7
• Molekulargewicht: 450.98
• Reaxy-Rn: 6889420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6889420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazepines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzothiazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
• External Descriptors: hydrochloride

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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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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U2OS (164939 Activities)

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HEK293 (82097 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 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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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 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)

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

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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HEK-293T (167025 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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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Cavia porcellus (23802 Activities)

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Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in\xa01ml of water\xa0to give specified mM/ml concentration
• Spezifische Drehung [α]: 114 to 122 deg(C=1, H2O)
• Schmelzpunkt (°C): 210 °C
• Molekulargewicht: 451.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 450.138 Da
• Monoisotopic Mass: 450.138 Da
• Topological Polar Surface Area: 84.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 565.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Referenzen

1. Wang Yiran, Shi Jihua, Dai Dapeng, Cai Jianping, Wang Shuanghu, Hong Yun, Zhou Shan, Zhao Fangling, Zhou Quan, Geng Peiwu, Zhou Yunfang, Xu Xue, Luo Qingfeng.  (2022)  Evaluation of commonly used cardiovascular drugs in inhibiting vonoprazan metabolism in vitro and in vivo.  Frontiers in Pharmacology,      [PMID:36052128] [10.3389/fphar.2022.909168]