Products for Research Use Only
RegisterLogin

PF-462991

CAT: 0013-GTR19196744-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19196744-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PF-462991 is a selective sphingosine-1-phosphate receptor 1 (S1P1) agonist. This small molecule is utilized in research to investigate S1P1-mediated pathways in immunology and inflammation, with applications in both cellular and animal model studies.
CAS Number
1149727-90-1
Smiles
[C@@H] (N[C@H]1C[C@@H] (C (O) =O) C1) (C) C2=CC=C (C=3N=C (ON3) C4=CC=C (CC (C) C) C=C4) C=C2
Molecular Formula
C25H29N3O3
Molecular Weight
419.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

trans-3-{[(1R)-1-{4-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]Phenyl}ethyl]amino}cyclobutanecarboxylic acid
CAS Number1149727-90-1
PubChem CID42610387
IUPAC Name3-[[(1R)-1-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]amino]cyclobutane-1-carboxylic acid
Molecular FormulaC25H29N3O3
Molecular Weight419.5
XLogP2.6
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity579
SMILES
C[C@H](C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(C=C3)CC(C)C)NC4CC(C4)C(=O)O
InChI
InChI=1S/C25H29N3O3/c1-15(2)12-17-4-6-20(7-5-17)24-27-23(28-31-24)19-10-8-18(9-11-19)16(3)26-22-13-21(14-22)25(29)30/h4-11,15-16,21-22,26H,12-14H2,1-3H3,(H,29,30)/t16-,21?,22?/m1/s1
InChIKey
JRZJZOSWCNBQFS-NYYVNYEXSA-N
Chemical Structure
2D Structure
2D structure of trans-3-{[(1R)-1-{4-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]Phenyl}ethyl]amino}cyclobutanecarboxylic acid
CAS: 1149727-90-1
CID: 42610387
Formula: C25H29N3O3
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass419.22089180
Monoisotopic Mass419.22089180
Topological Polar Surface Area88.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19219774-01PF-06821497
GTR19218762-01PF-07284892
GTR19217007-01PF-04745637
GTR19216918-01PF-04885614
GTR19213808-01PF-03463275
GTR19212469-01PF-07054894
GTR19212080-01PF-184
GTR19210491-01PF-07258669
GTR19208369-01PF-04671536
GTR19208220-01PF-05150122

Alternative Products

CatalogName
T28385-01PF-462991
HY-14433A(S) -PF-462991
287468-01Procainamide hydrochloride discontinued. See 462991
MBS579460PF-03084014 (PF-3084014)
BA5950-5.1PF-06928215
BA7028-5PF-4840154
B5563-10PF 5081090
BA8315-10PF-06747711
C4756-10PF-622
A4689-10PF-06409577

Popular Products