Products for Research Use Only
RegisterLogin

CS-0777

CAT: 1410-M16073Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M16073Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
A potent, selective, orally active S1P receptor-1 (S1P1) agonist with EC50 of 1.1 nM, 320-fold selectivity over S1P3.
CAS Number
827344-05-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
342.483
Molecular Formula
C21H30N2O2
Notes
Research use only, not for human use.
Receptor
Lysophospholipid Receptor

Chemical Information

CS 0777

a sphingosine-1-phosphate receptor modulator

CAS Number827344-05-8
PubChem CID11371290
IUPAC Name1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-1-methylpyrrol-2-yl]-4-(4-methylphenyl)butan-1-one
Molecular FormulaC21H30N2O2
Molecular Weight342.5
XLogP2.6
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity420
SMILES
CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CC[C@](C)(CO)N
InChI
InChI=1S/C21H30N2O2/c1-16-7-9-17(10-8-16)5-4-6-20(25)19-12-11-18(23(19)3)13-14-21(2,22)15-24/h7-12,24H,4-6,13-15,22H2,1-3H3/t21-/m1/s1
InChIKey
YXEQXPNSBUIRDZ-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of CS 0777
CAS: 827344-05-8
CID: 11371290
Formula: C21H30N2O2
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass342.230728204
Monoisotopic Mass342.230728204
Topological Polar Surface Area68.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity420
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
M14004-01CS-526
M23229-01CS-0047390
M12453-01CS-3150
M27618-01CS 2100
M25002-01CS-2660
M32869-01CS-722 Free base
M15267-01MK-0773
M12027-01MKT-077

Alternative Products

CatalogName
MBS5780730CS-0777
HY-14977CS-0777-P
4334/50PSB 0777 ammonium salt
T39568-01PSB 0777 ammonium
HY-136233-01PSB 0777 (ammonium)
HY-136233A-01PSB 0777 (ammonium hydrate)
T78084-01PSB 0777 ammonium hydrate
enz-824CS
HY-19633ACS-003
HY-P6306-01CS-6253

Popular Products