Nizatidine - Moligand™, ≥98% , CAS No.76963-41-2

CAS: 76963-41-2 Cat. No.: N129229 Peso molecular: 331.46 Número EC: 627-310-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

HMS2051K04 | Nizax | Axid (TN) | DTXCID403376 | NCGC00016934-06 | NSC759289 | AC-5272 | MLS000759518 | Niaztidine | (E)-N-{2-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)thio]ethyl}-N'-methyl-2-nitroethene-1,1-diamine | N-(2-(((2-((Dimethylamino)m

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Nizatidine is a histamine H2 receptor antagonist with IC50 of 0.9 nM, also inhibits AChE with IC50 of 6.7 μM.
An inhibitor of gastric acid secretion.

Specifications

Sinónimos

HMS2051K04 | Nizax | Axid (TN) | DTXCID403376 | NCGC00016934-06 | NSC759289 | AC-5272 | MLS000759518 | Niaztidine | (E)-N-{2-[({2-[(dimethylamino)methyl]-1, 3-thiazol-4-yl}methyl)thio]ethyl}-N'-methyl-2-nitroethene-1, 1-diamine | N-(2-(((2-((Dimethylamino)m

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Nizatidine is a histamine H2 receptor antagonist which functions as a potent inhibitor of gastric acid secretion.Selective H 2 antagonist (IC 50 = 6.7 µM). Inhibits gastric acid secretion. Water-soluble. Active in vitro and in vivo .

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Nota

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762342
• Sonrisas canónicas: CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C
• IUPAC Name: (E)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
• InChIKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N
• INCHI: 1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+
• Isómeros SMILES: CN/C(=C\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C
• RTECS: KM6565000
• Peso molecular: 331.46
• Reaxy-Rn: 4846056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4846056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aralkylamines Heteroaromatic compounds Trialkylamines C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylthioethers Dialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Aralkylamine - Heteroaromatic compound - Tertiary aliphatic amine - C-nitro compound - Tertiary amine - Organic nitro compound - Azacycle - Secondary amine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Secondary aliphatic amine - Thioether - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Objetivos asociados (no humanos)

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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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 133-134°C
• Peso molecular: 331.500 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 331.114 Da
• Monoisotopic Mass: 331.114 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 349.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Guodong Shan, Xiuqin Fan, Qingcheng Wang, Li Zhang, Lijun Ge, Weibo Lu, Jing Xue, Kang Chen, Zejun Wang, Qing Shen.  (2025)  Development of a Captiva EMR-lipid clean-up and LC-MS/MS methodology for detecting H2 receptor antagonists in functional foods and food-medicine homology materials.  Applied Food Research,      [PMID:] [10.1016/j.afres.2025.100772]

2. Shirong Li, Junwen Ding, Zihan Liu, Jinjin Jia, Qian Zhao, Peijie Li, Han Zhang, Guibai Li, Langming Bai, Heng Liang.  (2025)  Interface-Facilitated Removal of Environmental Micropollutants by Nanofiltration Membranes Prepared from Amino Acid-Mediated Interfacial Polymerization: Mechanistic Insights into Micropollutant Interfacial Partitioning Regulation.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40493848] [10.1021/acs.est.5c04586]