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SD 2590 hydrochloride - ≥98%(HPLC), high purity , CAS No.226395-93-3

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 226395-93-3
Molecular Weight: 554.96
PubChem CID: 9893894

In stock

Item Number

S287849

Grouped product items
SKU	Size	Availability	Price	Qty
S287849-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$219.90
S287849-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$922.90

Potent MMP inhibitor

View related series

Amino Acid/Protein Metabolism (1836)

Basic Description

Synonyms	SC 78080 \| N-Hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl]-4-piperidinecarboxamide hydrochloride
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent MMP inhibitor (IC50values are <0.1, <0.1, 0.18, 1.7, 13 and 28.7 nM for MMP-2, -13, -9, -8, -14 and -3 respectively). Exhibits 100,000-fold selectivity for MMP-2 and -13 over MMP-1. Reduces left ventricular dilation in a myocardial infarction rat m
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Benzenesulfonyl compounds Piperidinecarboxamides Phenoxy compounds Phenol ethers Sulfones Amino acids and derivatives Trihalomethanes Trialkylamines Hydroxamic acids Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Alkyl fluorides Organic oxides Organofluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Piperidinecarboxamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Piperidine - Sulfone - Sulfonyl - Amino acid or derivatives - Trihalomethane - Hydroxamic acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Halomethane - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Hydrochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
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

Names and Identifiers

IUPAC Name	N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
INCHI	InChI=1S/C22H25F3N2O7S.ClH/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25;/h2-9,29H,10-15H2,1H3,(H,26,28);1H
InChIKey	HJJOIVGDTLHVTK-UHFFFAOYSA-N
Smiles	COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F.Cl
Isomeric SMILES	COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC(F)(F)F.Cl
PubChem CID	9893894
Molecular Weight	554.96

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 55.5, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 55.5, Max Conc. mM: 100
Molecular Weight	555.000 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	554.11 Da
Monoisotopic Mass	554.11 Da
Topological Polar Surface Area	123.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	782.000
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	2

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