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MRE-269

CAT: 0013-GTR19170110-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170110-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRE-269 (ACT-333679) is the long-acting, orally active metabolite of Selexipag and a potent prostacyclin receptor (IP receptor) agonist. It is utilized in pulmonary arterial hypertension (PAH) research, with studies demonstrating its efficacy in both in vitro assays and in vivo animal models of pulmonary hypertension.
CAS Number
475085-57-5
Product Name Alternative
ACT 333679, ACT-333679, ACT333679, MRE 269, MRE269, MRE-269, inhibit, Inhibitor, ProstaglandinReceptor, prostaglandin I2 receptor, Prostaglandin Receptor
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
98.25% (May vary between batches)
Solubility
DMSO:55 mg/mL (131.1 mM) ;10% DMSO+90% Corn Oil:2.5 mg/mL (5.96 mM)
Smiles
N (CCCCOCC (O) =O) (C (C) C) C=1N=C (C (=NC1) C2=CC=CC=C2) C3=CC=CC=C3
Molecular Formula
C25H29N3O3
Molecular Weight
419.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-((5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino)butoxy)acetic acid

ACT-333679 is a member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as a vasodilator agent, a drug metabolite, a platelet aggregation inhibitor, an orphan drug and a prostacyclin receptor agonist. It is a monocarboxylic acid, an ether, an aromatic amine, a sulfonamide, a member of pyrazines and a tertiary amino compound.

CAS Number475085-57-5
PubChem CID9931891
IUPAC Name2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]acetic acid
Molecular FormulaC25H29N3O3
Molecular Weight419.5
XLogP4.5
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity518
SMILES
CC(C)N(CCCCOCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)
InChIKey
OJQMKCBWYCWFPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-((5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino)butoxy)acetic acid
CAS: 475085-57-5
CID: 9931891
Formula: C25H29N3O3
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass419.22089180
Monoisotopic Mass419.22089180
Topological Polar Surface Area75.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity518
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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Alternative Products

CatalogName
456637-01MRE-269
HY-79593S2-01MRE-269-d7
HY-79593R-01MRE-269 (Standard)
456641-01MRE-269-d8
HY-79593S1-01MRE-269-d6
456640-01MRE-269-d10
C11380-5mgMRE-269 (ACT-333679)
456639MRE-269 β-D-Glucuronide
HY-79593S3MRE-269-d7 (sodium)
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