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Ninerafaxstat

CAT: 0013-GTR19184290-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184290-02Size:5 mg
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Description
Ninerafaxstat is a small molecule that shifts cellular metabolism from fatty acid oxidation to glucose oxidation, enhancing mitochondrial respiration. This metabolic modulator inhibits cancer cell growth and proliferation, making it a useful research tool for studying oncology and metabolism in both in vitro and in vivo models.
CAS Number
2254741-41-6
Field of Research
Metabolism Research
Purity
98.39% (May vary between batches)
Smiles
O=C (C1=CC=CN=C1) OCCN2CCN (CC3=CC=C (OC) C (OC) =C3OC) CC2
Molecular Formula
C22H29N3O5
Molecular Weight
415.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ninerafaxstat

Ninerafaxstat is a small molecule drug. Ninerafaxstat is under investigation in clinical trial NCT07023614 (A Trial to Evaluate the Efficacy and Safety of Ninerafaxstat in Patients With Symptomatic Non-obstructive Hypertrophic Cardiomyopathy). Ninerafaxstat has a monoisotopic molecular weight of 415.21 Da.

CAS Number2254741-41-6
PubChem CID137359209
IUPAC Name2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate
Molecular FormulaC22H29N3O5
Molecular Weight415.5
XLogP2
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity515
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CCOC(=O)C3=CN=CC=C3)OC)OC
InChI
InChI=1S/C22H29N3O5/c1-27-19-7-6-18(20(28-2)21(19)29-3)16-25-11-9-24(10-12-25)13-14-30-22(26)17-5-4-8-23-15-17/h4-8,15H,9-14,16H2,1-3H3
InChIKey
AGVJLPKGBKSLKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ninerafaxstat
CAS: 2254741-41-6
CID: 137359209
Formula: C22H29N3O5
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass415.21072103
Monoisotopic Mass415.21072103
Topological Polar Surface Area73.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T9768-01Ninerafaxstat
BUP07678-01Ninerafaxstat trihydrochloride
HY-139577A-01Ninerafaxstat (trihydrochloride)

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