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MRE-269 (ACT-333679)

CAT: 0957-S5819-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S5819-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
475085-57-5
Target
Prostaglandin Receptor
Applications
GPCR & G Protein
Smiles
CC (C) N (CCCCOCC (=O) O) C1=CN=C (C (=N1) C2=CC=CC=C2) C3=CC=CC=C3
Molecular Formula
C25H29N3O3
Additionnal Information
MRE-269 (ACT-333679) is a prostaglandin I2 (IP) receptor agonist with a binding affinity for the human IP receptor that is 130-fold greater than that for other human prostanoid receptor.
Storage Conditions
3 years -20°C powder

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
C11380-5mgMRE-269 (ACT-333679)
A18322-100MRE-269 (ACT-333679) 100mg
A18322-5MRE-269 (ACT-333679) 5mg
A18322-50MRE-269 (ACT-333679) 50mg
A18322-25MRE-269 (ACT-333679) 25mg
A18322-10MRE-269 (ACT-333679) 10mg
AR-S01245-01MRE-269-Glucuronide (ACT-333679-Glucuronide)
AR-S01244-01MRE-269-d6 (ACT-333679-d6)
A18322-10mM-DMRE-269 (ACT-333679) 10mM * 1mL in DMSO
AR-S10084-01Selexipag Metabolite N-Oxide (MRE-269 N-Oxide, ACT-333679 N-Oxide)

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