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Prostaglandin Receptor
ICI 192,605 - ≥96%, high purity , CAS No.117621-64-4, Antagonist of TP receptor

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ICI 192,605 - ≥96%, high purity , CAS No.117621-64-4, Antagonist of TP receptor

COA

Grade & Purity:

Moligand™

≥96%

Cas Number: 117621-64-4
Molecular Weight: 402.87
PubChem CID: 6438399

In stock

Item Number

I342536

Grouped product items
SKU	Size	Availability	Price	Qty
I342536-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$85.90
I342536-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90

a potent thromboxane A2 receptor antagonist

View related series

Class A GPCR (4138) GPCR/G Protein (3172) Prostaglandin Receptor (169) TP receptor Antagonist (20)

Basic Description

Synonyms	UNII-FQ9418XA31 \| ICI 192605 \| ICI-192,605 \| ICI 192605, >=98% (HPLC) \| DTXSID801026087 \| 6-(2-(2-Chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid \| MYRISTYL-G-PICOLINIUMCHLORIDE \| 4-HEXENOIC ACID, 6-((2R,4R,5S)-2-(2-CHLOROPHENYL)-4-(2-HYDROXYP
Specifications & Purity	Moligand™, ≥96%
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of TP receptor
Product Description	ICI 192,605 is a cell signaling prostaglandin that has been shown to be a potent TXA2R (thromboxane A2 receptor) antagonist. ICI 192,605 competitively inhibits contractile responces to U-46619 .

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Medium-chain fatty acids
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids 1,3-dioxanes Unsaturated fatty acids Aryl chlorides Carboxylic acids Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Medium-chain fatty acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Meta-dioxane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Unsaturated fatty acid - Acetal - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors	Not available
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)

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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	(Z)-6-[(2R,4R,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
INCHI	InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1-/t15-,21+,22+/m0/s1
InChIKey	WHUIENZXNGAHQI-YGPRPMEGSA-N
Smiles	C1C(C(OC(O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)CC=CCCC(=O)O
Isomeric SMILES	C1[C@@H]([C@@H](O[C@@H](O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)C/C=C\CCC(=O)O
WGK Germany	3
UN Number	3077
Packing Group	III
Molecular Weight	402.87
Reaxy-Rn	43075792
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43075792&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in DMSO (≥20 mg/mL).
Molecular Weight	402.900 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	402.123 Da
Monoisotopic Mass	402.123 Da
Topological Polar Surface Area	76.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	525.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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

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