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Dazoxiben hydrochloride - 10mM in DMSO, high purity , CAS No.74226-22-5
P450(e.g. CYP17) Inhibitors
Basic Description
Synonyms
Dazoxiben hydrochloride | 74226-22-5 | Dazoxiben HCl | 4-(2-(1H-Imidazol-1-yl)ethoxy)benzoic acid hydrochloride | Dazoxiben hydrochloride [USAN] | UK-37248 | G5AI939LWF | p-(2-Imidazol-1-ylethoxy)benzoic acid monohydrochloride | MLS000028316 | UK-37248-01 | UK-37,248-01 | 4-[2
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Dazoxiben hydrochloride (HCl) is a potent, selevtive and orally active inhibitor of thromboxane (TX) synthase. Dazoxiben inhibits TXB2 production in clotting human whole blood with IC50 of 0.3 μM and causes parallel enhancement of PGE2 production.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Dazoxiben hydrochloride Dazoxiben hydrochloride (HCl) is a potent, selevtive and orally active inhibitor of thromboxane (TX) synthase . Dazoxiben inhibits TXB2 production in clotting human whole blood with IC50 of 0.3 μM and causes parallel enhancement of PGE2 production.
Targets
PGE2 ; TXB2 (Cell-free assay) ; 0.3 μM
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Phenol ethers Imidazolyl carboxylic acids and derivatives Benzoyl derivatives Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Benzoyl - Imidazolyl carboxylic acid derivative - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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.
Product Properties
ALogP
1.567
hba_count
3
Rotatable Bond
5
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-(2-imidazol-1-ylethoxy)benzoic acid;hydrochloride
INCHI
InChI=1S/C12H12N2O3.ClH/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14;/h1-6,9H,7-8H2,(H,15,16);1H
InChIKey
PVKDFUXBDJPRGU-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2.Cl
Isomeric SMILES
C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2.Cl
Molecular Weight
268.7
Reaxy-Rn
4278766
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4278766&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
54
DMSO(mM) Max Solubility
200.967621883141
Water(mg / mL) Max Solubility
54
Water(mM) Max Solubility
200.967621883141
Molecular Weight
268.690 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
268.061 Da
Monoisotopic Mass
268.061 Da
Topological Polar Surface Area
64.400 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
252.000
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
2
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