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Praliciguat

CAT: 0013-GTR19174489-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174489-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Praliciguat (IW-1973) is an orally bioavailable stimulator of soluble guanylate cyclase (sGC), demonstrating an EC50 of 197 nM in HEK-293 cells. It functions by enhancing nitric oxide signaling, leading to vasodilation, and is utilized in cardiovascular and metabolic disease research in both in vitro and in vivo models.
CAS Number
1628730-49-3
Product Name Alternative
SGC, Praliciguat, IW 1973, IW1973, IW-1973, inhibit, Inhibitor, Guanylate cyclase, Guanylate Cyclase, Guanylatecyclase
Field of Research
Pharmacology & Drug Discovery
Purity
98.82% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (9.36 mM) ; DMSO:245 mg/mL (458.49 mM)
Smiles
OC (CNc1nc (ncc1F) -c1cc (-c2ccon2) n (Cc2ccccc2F) n1) (C (F) (F) F) C (F) (F) F
Molecular Formula
C21H14F8N6O2
Molecular Weight
534.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,1,1,3,3,3-Hexafluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(3-isoxazolyl)-1H-pyrazol-3-yl)-4-pyrimidinyl)amino)methyl)-2-propanol

Praliciguat is a member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction. It has a role as a vasodilator agent, an antihypertensive agent, an anti-inflammatory agent and a soluble guanylate cyclase activator. It is a member of pyrazoles, a tertiary alcohol, an organofluorine compound, an aminopyrimidine, a secondary amino compound, a member of isoxazoles and a member of monofluorobenzenes.

CAS Number1628730-49-3
PubChem CID86269973
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]propan-2-ol
Molecular FormulaC21H14F8N6O2
Molecular Weight534.4
XLogP3.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity748
SMILES
C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NCC(C(F)(F)F)(C(F)(F)F)O)F)C4=NOC=C4)F
InChI
InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)
InChIKey
CYSJNTQNMDWAJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1,3,3,3-Hexafluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(3-isoxazolyl)-1H-pyrazol-3-yl)-4-pyrimidinyl)amino)methyl)-2-propanol
CAS: 1628730-49-3
CID: 86269973
Formula: C21H14F8N6O2
MW: 534.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass534.10504901
Monoisotopic Mass534.10504901
Topological Polar Surface Area102 Ų
Heavy Atom Count37
Formal Charge0
Complexity748
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
MBS3843772-01Praliciguat
A19315-5Praliciguat 5mg
A19315-50Praliciguat 50mg
A19315-100Praliciguat 100mg
A19315-25Praliciguat 25mg
A19315-10Praliciguat 10mg
A19315-2Praliciguat 2mg
AR-P32262-01Praliciguat-d6
A19315-1Praliciguat 1mg
A19315-10mM-DPraliciguat 10mM * 1mL in DMSO

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