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LYS-006 , CAS No.1799681-85-8, Inhibitor of Leukotriene A 4 hydrolase
Basic Description
Synonyms
(3S)-3-amino-4-[5-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenyl]tetrazol-2-yl]butanoic acid | LYS006 | LYS-006 | 2H-TETRAZOLE-2-BUTANOIC ACID, .BETA.-AMINO-5-(4-((5-CHLORO-3-FLUORO-2-PYRIDINYL)OXY)PHENYL)-, (.BETA.S)- | RZE | SCHEMBL16827313 | HY-137298 | b
Specifications & Purity
Moligand™
Biochemical and Physiological Mechanisms
LYS-006 is a potent inhibitor of Leukotriene A4 hydrolase (LTA4H). LYS-006 can be used for the treatment of Hidradenitis Suppurativa.
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
INHIBITOR
Mechanism of action
Inhibitor of Leukotriene A 4 hydrolase
Product Description
Information
LYS-006 is a potent inhibitor of Leukotriene A4 hydrolase (LTA4H). LYS-006 can be used for the treatment of Hidradenitis Suppurativa.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Diarylethers Beta amino acids and derivatives Polyhalopyridines Phenoxy compounds Phenol ethers Aryl fluorides Aryl chlorides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - Diaryl ether - Beta amino acid or derivatives - Phenoxy compound - Polyhalopyridine - Phenol ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl 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.
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
(3S)-3-amino-4-[5-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenyl]tetrazol-2-yl]butanoic acid
INCHI
InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
InChIKey
ZEGMEJVULDALSH-NSHDSACASA-N
Smiles
C1=CC(=CC=C1C2=NN(N=N2)CC(CC(=O)O)N)OC3=C(C=C(C=N3)Cl)F
Isomeric SMILES
C1=CC(=CC=C1C2=NN(N=N2)C[C@H](CC(=O)O)N)OC3=C(C=C(C=N3)Cl)F
Molecular Weight
392.77
Reaxy-Rn
37837811
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37837811&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
392.770 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
7
Exact Mass
392.08 Da
Monoisotopic Mass
392.08 Da
Topological Polar Surface Area
129.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
499.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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