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Metabolic Enzyme/Protease
Phospholipase
sPLA2 inhibitor - 95%, high purity , CAS No.393569-31-8, Inhibitor of sPLA 2-2A

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sPLA2 inhibitor - 95%, high purity , CAS No.393569-31-8, Inhibitor of sPLA 2-2A

COA

Grade & Purity:

Moligand™

≥95%

Cas Number: 393569-31-8
Molecular Weight: 487.63
PubChem CID: 446400

In stock

Item Number

S339610

Grouped product items
SKU	Size	Availability	Price	Qty
S339610-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$379.90
S339610-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$919.90

an inhibitor of phospholipase A2

View related series

Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) Phospholipase (108) sPLA2-2A Inhibitor (3)

Basic Description

Synonyms	sPLA2 inhibitor 1 \| KH064 \| KH-064 \| (4S)-4-(7-phenylheptanoylamino)-5-(4-phenylmethoxyphenyl)pentanoic acid \| 1j1a \| hnpsPLA2-IIa Inhibitor, 2b \| BDBM82331 \| HY-11059 \| (4S)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethoxy)phenyl]pentanoic acid \| AKOS04074
Specifications & Purity	Moligand™, ≥95%
Storage Temp	Protected from light,Store at -20°C,Argon charged
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 sPLA 2-2A
Product Description	sPLA2 inhibitor is a potent secretory Phospholipase A2 (sPLA2; Group IIa) inhibitor. The compuond is also a potent antiinflammatory agent and apoptosis inducer of lung cancer cells.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Gamma amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Gamma amino acids and derivatives
Alternative Parents	Amphetamines and derivatives Phenoxy compounds Phenol ethers Medium-chain fatty acids Amino fatty acids Alkyl aryl ethers N-acyl amines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Gamma amino acid or derivatives - Amphetamine or derivatives - Phenoxy compound - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Amino fatty acid - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Fatty acid - Benzenoid - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
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)

PLA2G2A Tchem Phospholipase A2, membrane associated (1 Activities)

Discover Target: PLA2G2A

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

HEK293 (82097 Activities)

Explore this target

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

Associated Targets(non-human)

PLA2G1B Phospholipase A2 group 1B (227 Activities)

Discover Target: PLA2G1B

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

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	(4S)-4-(7-phenylheptanoylamino)-5-(4-phenylmethoxyphenyl)pentanoic acid
INCHI	InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
InChIKey	KWLUIYFCMHKLKY-NDEPHWFRSA-N
Smiles	C1=CC=C(C=C1)CCCCCCC(=O)NC(CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3
Isomeric SMILES	C1=CC=C(C=C1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3
WGK Germany	3
Alternate CAS	393569-31-8
PubChem CID	446400
Molecular Weight	487.63

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
Sensitivity	Moisture & light sensitive
Molecular Weight	487.600 g/mol
XLogP3	6.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	487.272 Da
Monoisotopic Mass	487.272 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	604.000
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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