Praliciguat - Moligand™, ≥98% , Soluble guanylate cyclase activator, CAS No.1628730-49-3, Soluble guanylate cyclase activator

CAS: 1628730-49-3 Cat. No.: P612911 Formula: C₂₁H₁₄F₈N₆O₂ Molecular Weight: 534.4 PubChem CID: 86269973

GRADE & PURITY Moligand™, ≥98%

Synonyms

Praliciguat [INN]|IW-1973

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Praliciguat is a potent soluble guanylate cyclase stimulator, enhances NO signaling, acts as a vasodilator. Praliciguat (IW-1973) stimulates sGC in HEK-293 cells with an EC50 of 197 nM.

Specifications

Synonyms

Praliciguat [INN] | IW-1973

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Soluble guanylate cyclase activator

Purity

≥98%

Product Properties

alogp

3.9

Names and Identifiers

Pubchem Sid

528766793

Canonical 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

IUPAC Name

1,1,1,3,3,3-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

InChIKey

CYSJNTQNMDWAJV-UHFFFAOYSA-N

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)

Isomeric 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

Alternate CAS

1628730-49-3

PubChem CID

86269973

MeSH Entry Terms

1,1,1,3,3,3-hexafluoro-2-(((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl) pyrimidin-4-yl)amino)methyl)propan-2-ol;IW-1973;praliciguat

Molecular Weight

534.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Fluorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl fluorides Tertiary alcohols Pyrazoles Isoxazoles Heteroaromatic compounds Fluorohydrins Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Pyrazole - Tertiary alcohol - Azole - Isoxazole - Heteroaromatic compound - Halohydrin - Fluorohydrin - Oxacycle - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Organohalogen compound - Alkyl fluoride - Alcohol - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

GUCY1A1 Tclin Guanylate cyclase soluble subunit alpha-1 (0 Activities)

Discover Target: GUCY1A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GUCY1B1 Tclin Guanylate cyclase soluble subunit beta-1 (0 Activities)

Discover Target: GUCY1B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 534.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 534.105 Da
• Monoisotopic Mass: 534.105 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 748.000
• 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