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Alvelestat - ≥98%, high purity , Leukocyte elastase inhibitor, CAS No.848141-11-7, Leukocyte elastase inhibitor

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 848141-11-7
Poids moléculaire: 545.53
PubChem CID: 46861623

En stock

Item Number

A127407

Articles du produit groupé
SKU	Taille	Disponibilité	Prix
A127407-5mg	5mg	3	75,90$US
A127407-10mg	10mg	3	107,90$US
A127407-25mg	25mg	2	243,90$US
A127407-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	325,90$US
A127407-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	489,90$US

View related series

Amino Acid/Protein Metabolism (1836) Elastase (31) elastase，neutrophil expressed Inhibitor (7) Metabolic Enzyme/Protease (4860)

Description générale

Synonymes	NCGC00378593-07 \| NSC60020 \| 6-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-N-{[5-(methylsulfonyl)pyridin-2-yl]methyl}-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide \| NCGC00254369-01 \| C76706 \| Alvelestat (AZD9668) \| DB11863 \| FT-0722953 \|
Spécifications et pureté	Moligand™, ≥98%
Mécanismes biochimiques et physiologiques	Alvelestat (AZD9668) is a novel oral inhibitor of neutrophil elastase (NE) with the pIC50 of 7 9 for Human NE.
Température de stockage	Store at -20°C
Expédié en	Ice chest + Ice pads Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade	Moligand™
Type d'action	INHIBITOR
Mécanisme d'action	Leukocyte elastase inhibitor
Product Description	Alvelestat (AZD9668) is an oral, highly selective inhibitor of neutrophil elastase (NE) with IC50 and Ki of 12 nM and 9.4 nM, at least 600-fold more selective over other serine proteases.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Pyridines and derivatives
    - Subclass Pyrazolylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Pyridines and derivatives
Subclass	Pyrazolylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolylpyridines
Alternative Parents	Trifluoromethylbenzenes Nicotinamides Pyridinones Dihydropyridines Methylpyridines Vinylogous amides Sulfones Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyrazolylpyridine - Trifluoromethylbenzene - Nicotinamide - Pyridine carboxylic acid or derivatives - Dihydropyridine - Methylpyridine - Pyridinone - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Sulfone - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
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

Propriétés du produit

ALogP	2.5

Cibles associées (humaines)

ELANE Tclin Neutrophil elastase (3 Activities)

Discover Target: ELANE

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

ELANE Tclin Leukocyte elastase (8173 Activities)

Discover Target: ELANE

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

Homo sapiens (32628 Activities)

Explore this target

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mécanismes d'action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	Références

Noms et identifiants

IUPAC Name	6-methyl-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
INCHI	InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)
InChIKey	QNQZWEGMKJBHEM-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C
Isomères SMILES	CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C
Poids moléculaire	545.53
Reaxy-Rn	12029447
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12029447&ln=

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Article
D1517081	Certificate of Analysis	Dec 12, 2022	A127407

Propriétés chimiques et physiques

Solubilité	25°C: DMSO
Poids moléculaire	545.500 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	545.134 Da
Monoisotopic Mass	545.134 Da
Topological Polar Surface Area	123.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1100.000
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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