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Parimifasor

CAT: 0804-HY-109098-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109098-01Size:5 mg
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Description
Parimifasor (LYC-30937) is an orally active agent for inflammatory bowel disease. Parimifasor targets F1F0-ATPase. Parimifasor acts on respiratory complex V, slows ATP production and induces Apoptosis. Parimifasor can be used in the research of inflammatory bowel disease[1].
CAS Number
1796641-10-5
Product Name Alternative
LYC30937
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Apoptosis; ATP Synthase
Type
Reference compound
Related Pathways
Apoptosis; Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Parimifasor.html
Purity
98.53
Solubility
DMSO : 66.67 mg/mL (ultrasonic)
Smiles
O=C(C1=CC(Cl)=CC=C1)N/C(NC2=NNC(C(F)(F)F)=C2)=N/C3=CC(Cl)=CC(F)=C3
Molecular Formula
C18H11Cl2F4N5O
Molecular Weight
460.21
Precautions
H302, H315, H319
References & Citations
[1]Sinniger V, et al. Electrical vagus nerve stimulation as an innovative treatment in inflammatory bowel diseases[J].
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Parimifasor

Parimifasor is a small molecule drug. Parimifasor has a monoisotopic molecular weight of 459.03 Da.

CAS Number1796641-10-5
PubChem CID135565102
IUPAC Name3-chloro-N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]benzamide
Molecular FormulaC18H11Cl2F4N5O
Molecular Weight460.2
XLogP5.7
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity638
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC(=NC2=NNC(=C2)C(F)(F)F)NC3=CC(=CC(=C3)Cl)F
InChI
InChI=1S/C18H11Cl2F4N5O/c19-10-3-1-2-9(4-10)16(30)27-17(25-13-6-11(20)5-12(21)7-13)26-15-8-14(28-29-15)18(22,23)24/h1-8H,(H3,25,26,27,28,29,30)
InChIKey
GPLAWHGEODGIAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Parimifasor
CAS: 1796641-10-5
CID: 135565102
Formula: C18H11Cl2F4N5O
MW: 460.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.2
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass459.0276780
Monoisotopic Mass459.0276780
Topological Polar Surface Area82.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity638
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
MBS387317-01Parimifasor
A12594-10Parimifasor 10mg
A12594-100Parimifasor 100mg
A12594-50Parimifasor 50mg
A12594-25Parimifasor 25mg
A12594-5Parimifasor 5mg
A12594-2Parimifasor 2mg
A12594-1Parimifasor 1mg
A12594-10mM-DParimifasor 10mM * 1mL in DMSO

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