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Pizuglanstat

CAT: 0804-HY-109134-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-109134-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pizuglanstat (Compound 3; TAS-205 free base) is an orally active prostaglandin D synthase inhibitor with an IC50 of 76 nM for human hematopoietic prostaglandin D synthase. Pizuglanstat inhibits the synthesis of PGD2. Pizuglanstat improves experimental allergic rhinitis. Pizuglanstat can be used in the study of muscle regenerative diseases such as muscular dystrophy[1][2][3].
CAS Number
1244967-98-3
Product Name Alternative
TAS-205 (free base)
UNSPSC
12352005
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pizuglanstat.html
Purity
99.70
Solubility
DMSO : 12.5 mg/mL (ultrasonic)
Smiles
O=C(N1CCOCC1)C2CCN(C3=CC=C(NC(N4CCN(C(C5=CC=CN5C)=O)CC4)=O)C=C3)CC2
Molecular Formula
C27H36N6O4
Molecular Weight
508.61
References & Citations
[1]Yoshihiro Urade, et al. Piperazine compound capable of inhibiting prostaglandin D synthase. United States. US8865714B2. 2010-03-08.|[2]Aoyagi H, et al. Potential synergistic effects of novel hematopoietic prostaglandin D synthase inhibitor TAS-205 and different types of anti-allergic medicine on nasal obstruction in a Guinea pig model of experimental allergic rhinitis. Eur J Pharmacol. 2020 May 15;875:173030.|[3]Komaki H, et al. Early phase 2 trial of TAS-205 in patients with Duchenne muscular dystrophy. Ann Clin Transl Neurol. 2020 Feb;7 (2) :181-190.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
DP

Chemical Information

Pizuglanstat

Pizuglanstat is a small molecule drug. The usage of the INN stem '-glanstat' in the name indicates that Pizuglanstat is a prostaglandin synthase inhibitor. Pizuglanstat has a monoisotopic molecular weight of 508.28 Da.

CAS Number1244967-98-3
PubChem CID46911296
IUPAC Name4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
Molecular FormulaC27H36N6O4
Molecular Weight508.6
XLogP0.8
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity797
SMILES
CN1C=CC=C1C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)N4CCC(CC4)C(=O)N5CCOCC5
InChI
InChI=1S/C27H36N6O4/c1-29-10-2-3-24(29)26(35)31-13-15-33(16-14-31)27(36)28-22-4-6-23(7-5-22)30-11-8-21(9-12-30)25(34)32-17-19-37-20-18-32/h2-7,10,21H,8-9,11-20H2,1H3,(H,28,36)
InChIKey
ZNFJGCDCPYTEKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pizuglanstat
CAS: 1244967-98-3
CID: 46911296
Formula: C27H36N6O4
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass508.27980365
Monoisotopic Mass508.27980365
Topological Polar Surface Area90.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity797
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

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