Tetramisole hydrochloride - 10mM in Water , CAS No.5086-74-8

CAS: 5086-74-8 Cat. No.: T424377 Molecular Weight: 240.75 EC Number: 225-799-5

GRADE & PURITY 10mM in Water

Synonyms

A828325 | Anthelvet | Citarin (VAN) | DTXSID101017245 | SMR000058395 | DL-6-Phenyl-2,5,6-tetrahydroimidazole[2,1-b]thiazole-hydrochloride | LEVAMISOLE DL-FORM HYDROCHLORIDE [MI] | 0NDK265MCV | Pharmakon1600-01505679 | SB18744 | McNJR8299 | McN-JR-8299 | N

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Tetramisole hydrochloride is suitable for inhibition of various alkaline phosphatase (i.e., liver, kidney, placenta, bone and tumor)(Intestinal alkaline phosphatases are only slightly inhibited.)

Specifications

Synonyms

A828325 | Anthelvet | Citarin (VAN) | DTXSID101017245 | SMR000058395 | DL-6-Phenyl-2, 5, 6-tetrahydroimidazole[2, 1-b]thiazole-hydrochloride | LEVAMISOLE DL-FORM HYDROCHLORIDE [MI] | 0NDK265MCV | Pharmakon1600-01505679 | SB18744 | McNJR8299 | McN-JR-8299 | N

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1CSC2=NC(CN21)C3=CC=CC=C3.Cl
• IUPAC Name: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
• InChIKey: LAZPBGZRMVRFKY-UHFFFAOYSA-N
• INCHI: 1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H
• Isomeric SMILES: C1CSC2=NC(CN21)C3=CC=CC=C3.Cl
• Molecular Weight: 240.75
• Reaxy-Rn: 4358987
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4358987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazothiazoles
• Alternative Parents: Benzene and substituted derivatives Thiazolidines Imidazolines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazothiazole - Monocyclic benzene moiety - Benzenoid - 2-imidazoline - Thiazolidine - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organic 1,3-dipolar compound - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazothiazoles. These are organic polycyclic compounds containing an imidazole ring fused to a thiazole ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
• External Descriptors: organic molecular entity

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

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

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

Discover Target: EHMT2

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

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

CRHR2 Tchem Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein (4148 Activities)

Discover Target: CRHR2

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

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

Trypanosoma cruzi (99888 Activities)

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

Ovis aries (854 Activities)

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

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

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

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: moisture sensitive
• Melt Point(°C): 261-263°C
• Molecular Weight: 240.750 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.049 Da
• Monoisotopic Mass: 240.049 Da
• Topological Polar Surface Area: 40.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Tong Shao, Xiaoshuang Wang, Rentian Guan, Suyuan Zeng, Rui Li, Min Hong, Qiaoli Yue.  (2023)  Carbonized polymer dots for the sensitive and selective analysis of chlortetracycline based on the aggregation induced emission.  NEW JOURNAL OF CHEMISTRY,  47  (37): (17293-17302).  [PMID:] [10.1039/D3NJ02474A]

2. Hao Tan, Delong Kong, Qingyun Ma, Qingqing Li, Yiqing Zhou, Xu Jiang, Zhiye Wang, Rebecca E. Parales, Zhiyong Ruan.  (2022)  Biodegradation of Tetracycline Antibiotics by the Yeast Strain Cutaneotrichosporon dermatis M503.  Microorganisms,  10  (3): (565).  [PMID:35336139] [10.3390/microorganisms10030565]

3. Chenlu Chen, Yue Xu, Zhiruo Li, Yinxin Yang, Yuxu Tao, Xiaoxuan Wang, Yini Wang, Haikuan Yuan, Lijuan Zhang, Xijian Liu, Jie Lu.  (2024)  Molecular simulation and solubilities of (R,S)- and (S)-tetramisole hydrochloride in two binary solvents.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.124838]

4. Chenming Zou, Ruihua Cai, Yunbing Li, Yu Xue, Guoguang Zhang, Gulimiran Alitongbieke, Yutian Pan, Sanguo Zhang.  (2024)  β-chitosan attenuates hepatic macrophage-driven inflammation and reverses aging-related cognitive impairment.  iScience,      [PMID:39280626] [10.1016/j.isci.2024.110766]