Products for Research Use Only
RegisterLogin

β2AR/M-receptor agonist-1

CAT: 0013-GTR19221008-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19221008-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
β2AR/M-receptor agonist-1 (Example 131) is a dual-acting MABA compound with potent β2 adrenoceptor agonist (EC50 = 9.2 nM) and muscarinic receptor antagonist (Ki = 30.2 nM) activity. It is a valuable research tool for investigating bronchodilation mechanisms in respiratory disease models, both in vitro and in vivo.
CAS Number
2230520-62-2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[Br-].O[C@H] (CNCCCOc1ccc (OCCC[N+]23CCC (CC2) [C@@H] (C3) OC[C@@] (O) (C2CCCC2) c2ccccc2) cc1) c1ccc (O) c2[nH]c (=O) ccc12
Molecular Formula
C43H56BrN3O7
Molecular Weight
806.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(1S)-2-[3-[4-[3-[(3S)-3-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenoxy]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one bromide
CAS Number2230520-62-2
PubChem CID166642458
IUPAC Name5-[(1S)-2-[3-[4-[3-[(3S)-3-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenoxy]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one bromide
Molecular FormulaC43H56BrN3O7
Molecular Weight806.8
Topological Polar Surface Area130
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count54
Formal Charge0
Complexity1160
SMILES
C1CCC(C1)[C@](CO[C@@H]2C[N+]3(CCC2CC3)CCCOC4=CC=C(C=C4)OCCCNC[C@H](C5=C6C=CC(=O)NC6=C(C=C5)O)O)(C7=CC=CC=C7)O.[Br-]
InChI
InChI=1S/C43H55N3O7.BrH/c47-38-18-16-36(37-17-19-41(49)45-42(37)38)39(48)28-44-22-6-26-51-34-12-14-35(15-13-34)52-27-7-23-46-24-20-31(21-25-46)40(29-46)53-30-43(50,33-10-4-5-11-33)32-8-2-1-3-9-32;/h1-3,8-9,12-19,31,33,39-40,44,48,50H,4-7,10-11,20-30H2,(H-,45,47,49);1H/t31?,39-,40-,43+,46?;/m1./s1
InChIKey
UPFGVSJDACTVRC-GWMCZDATSA-N
Chemical Structure
2D Structure
2D structure of 5-[(1S)-2-[3-[4-[3-[(3S)-3-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylethoxy]-1-azoniabicyclo[2.2.2]octan-1-yl]propoxy]phenoxy]propylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one bromide
CAS: 2230520-62-2
CID: 166642458
Formula: C43H56BrN3O7
MW: 806.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight806.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass805.33016
Monoisotopic Mass805.33016
Topological Polar Surface Area130 Ų
Heavy Atom Count54
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19212933-01β2AR/M-receptor agonist-2
GTR19262859-01α2AR agonist 1
GTR19272717-01β2AR agonist 5
GTR19234536-01β2AR agonist 3
GTR19261933-01β2AR agonist 4
GTR19273571-01α2AR agonist 2
GTR19261266-01β2AR agonist 2
GTR19238303-01β2AR antagonist 1
GTR19262815-01β2AR ligand 1
GTR19249920-01Estrogen receptor-agonist-1

Alternative Products

CatalogName
T74708-01β2AR/M-receptor agonist-1
T72226-01β2AR/M-receptor agonist-2
HY-148533β2AR agonist /M-receptor antagonist-1
HY-161836α2AR agonist 1
HY-148526β2AR/M3-receptor agonist-1
HY-179274β2AR agonist 5
T209301-01β2AR agonist 4
HY-149728β2AR agonist 3
T208235-01β2AR agonist 2
HY-178259α2AR agonist 2

Popular Products