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Cinaciguat - ≥98%, high purity , Soluble guanylate cyclase activator, CAS No.329773-35-5, Soluble guanylate cyclase activator
Basic Description
Synonyms
HY-14181 | Cinaciguat (BAY 58-2667) | Cinaciguat [INN:JAN] | 4-(((4-Carboxybutyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoicacid | Cinaciguat (JAN/INN) | cinaciguatum | Z90 | D07577 | GEQBPMNDDHGGPJ-UHFFFAOYSA-N | NSC-98326 | 4-[[4-carboxybu
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Cinaciguat (BAY 58-2667) is the first of a new class of soluble guanylate cyclase (sGC) activators in clinical development for acute decompensated heart failure. Cinaciguat has potent preload- and afterload-reducing effects, increasing ca
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ACTIVATOR
Mechanism of action
Soluble guanylate cyclase activator
Product Description
Cinaciguat is an activator of guanylate cyclase (sGC), and used for acute decompensated heart failure.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Stilbenes
Alternative Parents
Benzoic acids Phenethylamines Benzoyl derivatives Benzylamines Phenylmethylamines Phenol ethers Phenoxy compounds Aralkylamines Alkyl aryl ethers Amino acids Trialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Stilbene - Benzoic acid or derivatives - Benzoic acid - Phenethylamine - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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.
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-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
INCHI
InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)
InChIKey
WPYWMXNXEZFMAK-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CCC2=CC=C(C=C2)COC3=CC=CC=C3CCN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O
Isomeric SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)COC3=CC=CC=C3CCN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O
Molecular Weight
565.70
Reaxy-Rn
9676935
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9676935&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO
Molecular Weight
565.700 g/mol
XLogP3
4.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
17
Exact Mass
565.283 Da
Monoisotopic Mass
565.283 Da
Topological Polar Surface Area
87.100 Ų
Heavy Atom Count
42
Formal Charge
0
Complexity
767.000
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
1
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