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

CAS: 76963-41-2 Cat. No.: N129229 분자식: C₁₂H₂₁N₅O₂S₂ 분자량: 331.46 EC 번호: 627-310-4

등급 & 순도 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

개요

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.

사양

동의어

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

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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 .

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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등급

Moligand™

참고

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.

순수함

≥98%

이름과 식별자

Pubchem Sid

504762342

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762342

정식 스마일

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+

이성체 SMILES

CN/C(=C\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C

RTECS

KM6565000

분자량

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
    • 분류 Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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관련 대상(비인간)

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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in chloroform
• 감도: Air sensitive
• 녹는점(°C): 133-134°C
• 분자량: 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