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XEN445 - 98% (HPLC), high purity , CAS No.1515856-92-4

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1515856-92-4
Molecular Weight: 366.33
PubChem CID: 72736173
PubChem SID: 504772299

In stock

Item Number

X167460

Grouped product items
SKU	Size	Availability	Price
X167460-5mg	5mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$90.90
X167460-10mg	10mg	2	$139.90
X167460-25mg	25mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$314.90
X167460-50mg	50mg	2	$585.90
X167460-100mg	100mg	2	$1,053.90

Selective endothelial lipase inhibitor

View related series

Lipid metabolism (1912)

Basic Description

Synonyms	(S)-2-(3-(Pyridin-2-ylmethoxy)pyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Selective endothelial lipase (EL) inhibitor (IC50= 237 nM for human EL). Exhibits >20-fold selectivity for EL over lipoprotein lipase (LPL) and hepatic lipase (HL). Increases high density lipoprotein cholesterol (HDLc) plasma levels in mice. Orally bioava
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Trifluoromethylbenzenes Aminobenzoic acids Benzoic acids Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Pyridines and derivatives Vinylogous amides Pyrroles Heteroaromatic compounds Amino acids Azacyclic compounds Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Alkyl fluorides Organofluorides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Pyrrole - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Carboxylic acid - Alkyl halide - Organohalogen compound - Alkyl fluoride - Organofluoride - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four 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)

LIPG Tchem Endothelial lipase (3 Activities)

Discover Target: LIPG

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

LPL Tchem Lipoprotein lipase (101 Activities)

Discover Target: LPL

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

LIPC Tchem Hepatic lipase (436 Activities)

Discover Target: LIPC

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

LIPG Tchem Endothelial lipase (1021 Activities)

Discover Target: LIPG

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Plasma (328 Activities)

Explore this target

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

Pubchem Sid	504772299
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772299
IUPAC Name	2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
INCHI	InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
InChIKey	NBGRERFNOKZQLO-AWEZNQCLSA-N
Smiles	C1CN(CC1OCC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)C(=O)O
Isomeric SMILES	C1CN(C[C@H]1OCC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)C(=O)O
PubChem CID	72736173
Molecular Weight	366.33

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
J2120304	Certificate of Analysis	Aug 09, 2024	X167460
J2120305	Certificate of Analysis	Aug 09, 2024	X167460
J2120306	Certificate of Analysis	Aug 09, 2024	X167460
J2120308	Certificate of Analysis	Aug 09, 2024	X167460
J2120309	Certificate of Analysis	Aug 09, 2024	X167460

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 36.63, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 36.63, Max Conc. mM: 100
Molecular Weight	366.300 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	366.119 Da
Monoisotopic Mass	366.119 Da
Topological Polar Surface Area	62.700 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	489.000
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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