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BAY 87-2243 - ≥98%(HPLC), high purity , CAS No.1227158-85-1

COA COA
    Grade & Purity:
  • ≥98%(HPLC)
In stock
Item Number
B287776
Grouped product items
SKU Size
Availability
 Price Qty
B287776-5mg
5mg
3
$74.90
B287776-10mg
10mg
3
$132.90
B287776-25mg
25mg
2
$299.90
B287776-50mg
50mg
2
$573.90
B287776-100mg
100mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$917.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Mitochondrial complex I inhibitor

View related series
Apoptosis (4276) Ferroptosis (356) Glucose Metabolism (1943) HIF/HIF Prolyl-Hydroxylase (128) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms NSC795507 | NSC-795507 | s7309 | EX-A2031 | 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)pyridin-4-yl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole | 1-Cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-
Specifications & Purity ≥98%(HPLC)
Biochemical and Physiological Mechanisms Mitochondrial complex I inhibitor. Exhibits no effect on mitochondrial complex III. Induces mitochondrial permeability transition pore (mPTP) opening, stimulates autophagosome formation and mitophagy, and increases ROS levels. Activates necroptotic and fe
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 Diazinanes
Subclass Piperazines
Intermediate Tree Nodes Not available
Direct Parent Pyridinylpiperazines
Alternative Parents N-arylpiperazines  Phenyloxadiazoles  Dialkylarylamines  Phenoxy compounds  Phenol ethers  Aminopyridines and derivatives  N-alkylpiperazines  Imidolactams  Heteroaromatic compounds  Pyrazoles  Trihalomethanes  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Hydrocarbon derivatives  Alkyl fluorides  Organooxygen compounds  Organofluorides  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Pyridinylpiperazine - N-arylpiperazine - Phenyl-1,2,4-oxadiazole - Phenoxy compound - Dialkylarylamine - Phenol ether - N-alkylpiperazine - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Oxadiazole - Azole - Pyrazole - 1,2,4-oxadiazole - Heteroaromatic compound - Trihalomethane - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Amine - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors Not available

Associated Targets(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
G-361 (890 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
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 504771894
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771894
IUPAC Name 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)pyridin-4-yl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
INCHI InChI=1S/C26H26F3N7O2/c1-17-14-22(25-31-24(33-38-25)19-2-6-21(7-3-19)37-26(27,28)29)32-36(17)16-18-8-9-30-23(15-18)35-12-10-34(11-13-35)20-4-5-20/h2-3,6-9,14-15,20H,4-5,10-13,16H2,1H3
InChIKey CDJNNOJINJAXPV-UHFFFAOYSA-N
Smiles CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)F
Isomeric SMILES CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)F
Molecular Weight 525.54
Reaxy-Rn 23770506
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23770506&ln=

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
B2225098 Certificate of Analysis Dec 18, 2024 B287776
B2225061 Certificate of Analysis Dec 18, 2024 B287776
B2225064 Certificate of Analysis Dec 18, 2024 B287776
B2225101 Certificate of Analysis Dec 18, 2024 B287776
B2225087 Certificate of Analysis Dec 18, 2024 B287776

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 26.28, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 10.51, Max Conc. mM: 20
Molecular Weight 525.500 g/mol
XLogP3 4.700
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 7
Exact Mass 525.21 Da
Monoisotopic Mass 525.21 Da
Topological Polar Surface Area 85.300 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 774.000
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

Solution Calculators

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