Ethionamide - ≥98% , CAS No.536-33-4

CAS: 536-33-4 Cat. No.: E111356 分子式: C₈H₁₀N₂S 分子量: 166.24 Beilstein Registry Number: 22(5)2,360 EC番号: 208-628-9

グレード＆純度 ≥98%

Synonyms

Etionamida [INN-Spanish]|Etionamide|Isotiamida|.alpha.-Ethylthioisonicotinamide|Iridozin|ETHIONAMIDE (USP-RS)|2-ethyl-4-thiopyridylamide|Ethinamide|Amidazin|Teberus|Thioamide|Etimid|Etiocidan|Itiocide|Trescazide|alpha-Ethylisothionicotinamide|Ethionamidum|Thianide|.alpha.-Ethylisonicotinoylthioamide|alpha-Ethylthioisonicotinamide|2-Ethylisothionicotinamide|Trescatyl|1314 TH|2-ethylpyridine-4-carbothioamide|Amidazine|Ethyonomide|alpha-Ethylisonicotinic acid thioamide|ETHIONAMIDE [EP MONOGRAPH]|Trecator SC|Rigenicid|Tianid|Tuberoson|Isonicotinamide, 2-ethylthio-|Tiomid|Tio-Mid|ETHIONAMIDE [USP-RS]|Etionid|Ethionamid prothionamid|Bayer5312|Trecator|Tubenamide|Iridocin|4-Pyridinecarbothioamide, 2-ethyl-|ETHIONAMIDE [IARC]|Etionamide [DCIT]|Thiodine|ethionamide|Ethionamidum [INN-Latin]|Etionizina|Nizotin|Tuberoid|1314 TN|2-Ethyl-4-thiocarbamoylpyridine|Ethimide|Fatoliamid|Nicotion|Thianid|.alpha.-Ethylisonicotinic acid thioamide|Aetina|Aetiva|ETHIONAMIDE (EP MONOGRAPH)|Etionizine|TH 1314|2-Ethylisonicotinic thioamide|ETHIONAMIDE (MART.)|Ethioniamide|.alpha.-Ethylisothionicotinamide|ETHIONAMIDE [USP MONOGRAPH]|1314-Th|alpha-Ethylisonicotinoylthioamide|ETHIONAMIDE (USP MONOGRAPH)|Atina|3-Ethylisothionicotinamide|Ethina|Ethylisothiamide|Nisotin|Thioniden|Aethionamidum|ETHIONAMIDE [MART.]|2-Ethylisonicotinothioamide|Bayer 5312|Trecator-SC|2-Ethylthioisonicotinamide|2-Ethyl-thioisonicotinamide|Ethina (VAN)|2-ETHYL-4-PYRIDINECARBOTHIOAMIDE|2-Ethyl-4-thioamidylpyridine|Etioniamid|Isothin|Sertinon|Trekator|Etionamida|Iridocin Bayer

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

Etionamida [INN-Spanish] | Etionamide | Isotiamida | .alpha.-Ethylthioisonicotinamide | Iridozin | ETHIONAMIDE (USP-RS) | 2-ethyl-4-thiopyridylamide | Ethinamide | Amidazin | Teberus | Thioamide | Etimid | Etiocidan | Itiocide | Trescazide | alpha-Ethylisothionicotinamide | Ethionamidum | Thianide | .alpha.-Ethylisonicotinoylthioamide | a もっと見る

仕様と純度

≥98%

生化学的・生理学的メカニズム

Antimycobacterial agent. M. tuberculosis EthR/A mono-oxygenase substrate. InhA inhibitor. Binds NAD + to form an adduct. Prodrug activated by bacterial catalase similar to Isoniazid. Inhibits mycolic acid synthesis.Ethionamide is used as an anti-tuberculo

保管条件

Store at 2-8°C

入荷

Wet ice

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。

アクションタイプ

INHIBITOR

注

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.

純度

≥98%

製品の性質

ALogP

1.1

名前と識別子

パブケム・シド

504761599

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504761599

カノニカル・スマイル

CCC1=NC=CC(=C1)C(=S)N

IUPAC Name

2-ethylpyridine-4-carbothioamide

InChIKey

AEOCXXJPGCBFJA-UHFFFAOYSA-N

INCHI

1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)

異性体SMILES

CCC1=NC=CC(=C1)C(=S)N

WGKドイツ

3

RTECS

NS0350000

分子量

166.24

Beilstein

22(5)2,360

Reaxy-Rn

116474

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Thioamides Heteroaromatic compounds Thiocarboxylic acid amides Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Thioamide - Azacycle - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: pyridines - thiocarboxamide

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）

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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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 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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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 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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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 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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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 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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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 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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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

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関連ターゲット（非人間）

Mc4r Melanocortin receptor 4 (1205 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Pde4d Phosphodiesterase 4D (4 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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Mycobacterium tuberculosis (203094 Activities)

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Pneumocystis carinii (749 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Mycobacterium tuberculosis variant bovis (1746 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Mycobacteroides chelonae (540 Activities)

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Leishmania infantum (5912 Activities)

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Trypanosoma brucei (78846 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Entamoeba histolytica (2676 Activities)

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Cryptosporidium parvum (1150 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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Leishmania amazonensis (3813 Activities)

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Leishmania donovani (89745 Activities)

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Leishmania major (2877 Activities)

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Leishmania mexicana (936 Activities)

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Trypanosoma cruzi (99888 Activities)

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Trichomonas vaginalis (2376 Activities)

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Toxoplasma gondii (4585 Activities)

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Rattus norvegicus (775804 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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Vero (26788 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mycobacterium tuberculosis variant bovis BCG (1626 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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Mycobacterium leprae (477 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 in water: Practically insoluble; Slightly soluble in Methanol,Ethanol; Very slightly soluble in Ether
• 感度: Light Sensitive
• 沸点（°C）: 167°C/1mmHg
• 融点（°C）: 162°C
• 分子量: 166.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.056 Da
• Monoisotopic Mass: 166.056 Da
• Topological Polar Surface Area: 71.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 536-33-4, the molecular formula is C8H10N2S, and the molecular weight is 166.24 g/mol. InChIKey AEOCXXJPGCBFJA-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.