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Asapiprant

CAT: 0804-HY-16763-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16763-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Asapiprant is a potent and selective DP1 receptor antagonist with a Ki of 0.44 nM.
CAS Number
932372-01-5
Product Name Alternative
S-555739
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Asapiprant.html
Purity
99.89
Solubility
DMSO : 11.11 mg/mL (ultrasonic)
Smiles
O=C(O)COC1=CC(N2CCN(S(=O)(C3=CC=C(OC(C)C)C=C3)=O)CC2)=CC=C1C4=NC=CO4
Molecular Formula
C24H27N3O7S
Molecular Weight
501.55
Precautions
H302, H315, H319, H335
References & Citations
[1]Takahashi G, et al. Effect of the potent and selective DP1 receptor antagonist, asapiprant (S-555739), in animal models of allergic rhinitis and allergic asthma. Eur J Pharmacol. 2015 Oct 15;765:15-23.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
DP

Chemical Information

Asapiprant

Asapiprant is a small molecule drug. Asapiprant is under investigation in clinical trial NCT04705597 (Study to Evaluate the Safety, Tolerability, and Efficacy of BGE-175 in Hospitalized Adults With Coronavirus Disease 2019 (COVID-19) That Are Not in Respiratory Failure). Asapiprant has a monoisotopic molecular weight of 501.16 Da.

CAS Number932372-01-5
PubChem CID59232326
IUPAC Name2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic acid
Molecular FormulaC24H27N3O7S
Molecular Weight501.6
XLogP3.1
Topological Polar Surface Area131
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity789
SMILES
CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)O
InChI
InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)
InChIKey
ZMZNWNTZRWXTJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asapiprant
CAS: 932372-01-5
CID: 59232326
Formula: C24H27N3O7S
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass501.15697138
Monoisotopic Mass501.15697138
Topological Polar Surface Area131 Ų
Heavy Atom Count35
Formal Charge0
Complexity789
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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