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AZD5462

CAT: 0013-GTR19184776-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184776-01Size:1 mg
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Description
AZD5462 is a potent and orally bioavailable small molecule agonist of the relaxin receptor RXFP1. It is utilized in preclinical research to investigate therapeutic pathways for heart failure and cancer, supporting both in vitro mechanistic studies and in vivo disease models.
CAS Number
2787501-83-9
Product Name Alternative
RXFPreceptor, RXFP receptor, RXFP1
Field of Research
Pharmacology & Drug Discovery
Purity
98.32% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.67 mM) ; DMSO:150 mg/mL (275.41 mM)
Smiles
C (NCC1 (C) CCC1) (=O) [C@@H]2[C@H] (NC (=O) C3=C (OC) C=C (F) C (O[C@H]4CC[C@] (C (O) =O) (C) CC4) =C3) [C@@]5 (C[C@]2 (CC5) [H]) [H]
Molecular Formula
C30H41FN2O6
Molecular Weight
544.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pexerelgon
CAS Number2787501-83-9
PubChem CID163395232
IUPAC Name4-[2-fluoro-4-methoxy-5-[[(1S,2R,3S,4R)-3-[(1-methylcyclobutyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]carbamoyl]phenoxy]-1-methylcyclohexane-1-carboxylic acid
Molecular FormulaC30H41FN2O6
Molecular Weight544.7
XLogP5.3
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity932
SMILES
CC1(CCC1)CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)C4=CC(=C(C=C4OC)F)OC5CCC(CC5)(C)C(=O)O
InChI
InChI=1S/C30H41FN2O6/c1-29(9-4-10-29)16-32-27(35)24-17-5-6-18(13-17)25(24)33-26(34)20-14-23(21(31)15-22(20)38-3)39-19-7-11-30(2,12-8-19)28(36)37/h14-15,17-19,24-25H,4-13,16H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)/t17-,18+,19?,24+,25-,30?/m1/s1
InChIKey
LYUYYIGCZIZIGF-SRHODNEWSA-N
Chemical Structure
2D Structure
2D structure of Pexerelgon
CAS: 2787501-83-9
CID: 163395232
Formula: C30H41FN2O6
MW: 544.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.7
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass544.29486519
Monoisotopic Mass544.29486519
Topological Polar Surface Area114 Ų
Heavy Atom Count39
Formal Charge0
Complexity932
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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