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Olinciguat

CAT: 0013-GTR19174702-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174702-05Size:25 mg
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Description
Olinciguat (IW-1701) is an orally bioavailable stimulator of soluble guanylate cyclase (sGC) . It demonstrates concentration-dependent enzyme activation in both purified rat/human enzyme assays and cellular systems, supporting its use in cardiovascular and pulmonary hypertension research models.
CAS Number
1628732-62-6
Product Name Alternative
Olinciguat, IW 1701, IW1701, IW-1701, inhibit, Inhibitor, Guanylatecyclase, Guanylate Cyclase, Guanylate cyclase
Field of Research
Pharmacology & Drug Discovery
Purity
99.33% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (7.85 mM) ; DMSO:125 mg/mL (245.39 mM)
Smiles
NC (=O) [C@] (O) (CNc1nc (ncc1F) -c1cc (-c2ccon2) n (Cc2ccccc2F) n1) C (F) (F) F
Molecular Formula
C21H16F5N7O3
Molecular Weight
509.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Olinciguat

Olinciguat is under investigation in clinical trial NCT03892499 (A Trial to Evaluate the Effect of Itraconazole (ITZ), a CYP3A4 Inhibitor, on the Pharmacokinetics of the Soluble Guanylate Cyclase Stimulator, Olinciguat (IW-1701), in Healthy Volunteers).

CAS Number1628732-62-6
PubChem CID90445883
IUPAC Name(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
Molecular FormulaC21H16F5N7O3
Molecular Weight509.4
XLogP2.3
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity768
SMILES
C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NC[C@@](C(=O)N)(C(F)(F)F)O)F)C4=NOC=C4)F
InChI
InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1
InChIKey
YWQFJNWMWZMXRW-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of Olinciguat
CAS: 1628732-62-6
CID: 90445883
Formula: C21H16F5N7O3
MW: 509.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.4
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass509.12347821
Monoisotopic Mass509.12347821
Topological Polar Surface Area145 Ų
Heavy Atom Count36
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5392-1Olinciguat
A13670-10Olinciguat 10mg
A13670-50Olinciguat 50mg
A13670-100Olinciguat 100mg
A13670-25Olinciguat 25mg
A13670-5Olinciguat 5mg
A13670-1Olinciguat 1mg
A13670-10mM-DOlinciguat 10mM * 1mL in DMSO

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