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Azelaprag

CAT: 0804-HY-109111-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109111-05Size:100 mg
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Description
Azelaprag (Example 263.0) is a candidate active molecule for an Apelin receptor agonist with an EC50 of 0.32 nM for the apelin receptor[1].
CAS Number
2049980-18-7
Product Name Alternative
AMG 986
UNSPSC
12352005
Target
Apelin Receptor (APJ)
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Azelaprag.html
Purity
99.94
Solubility
DMSO : 5 mg/mL (ultrasonic)
Smiles
O=S(NC1=NN=C(C2=CN=CC(C)=C2)N1C(C(OC)=CC=C3)=C3OC)([C@@H](C)[C@@H](C4=NC=C(C)C=N4)C)=O
Molecular Formula
C25H29N7O4S
Molecular Weight
523.61
References & Citations
[1]WO2016187308A1.|[2]Ason B, et.al. Cardiovascular response to small-molecule APJ activation. JCI Insight. 2020 Apr 23;5 (8) :e132898.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Azelaprag

Azelaprag is under investigation in clinical trial NCT06515418 (Efficacy and Safety of Oral Azelaprag Plus Once Weekly Tirzepatide Compared With Tirzepatide Alone in Participants With Obesity Aged 55 Years and Over).

CAS Number2049980-18-7
PubChem CID122702529
IUPAC Name(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
Molecular FormulaC25H29N7O4S
Molecular Weight523.6
XLogP2.7
Topological Polar Surface Area142
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity810
SMILES
CC1=CC(=CN=C1)C2=NN=C(N2C3=C(C=CC=C3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](C)C4=NC=C(C=N4)C
InChI
InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1
InChIKey
DOMQFIFVDIAOOT-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Azelaprag
CAS: 2049980-18-7
CID: 122702529
Formula: C25H29N7O4S
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass523.20017361
Monoisotopic Mass523.20017361
Topological Polar Surface Area142 Ų
Heavy Atom Count37
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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