Products for Research Use Only
RegisterLogin

KSI-6666

CAT: 0804-HY-158417-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-158417-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
KSI-6666 is an orally active, competitive antagonist for sphingosine 1-phosphate receptor 1 (S1PR1), with an IC50 of 6.4 nM. KSI-6666 exhibits anti-inflammatory efficacy in autoimmune encephalomyelitis model and T cell transfer colitis model[1].
CAS Number
1807873-14-8
UNSPSC
12352005
Target
LPL Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ksi-6666.html
Purity
96.15
Solubility
DMSO : 41.67 mg/mL (ultrasonic)
Smiles
CCN(C(C1=CC=C(C(CN2CC(C2)C(O)=O)=C1)C)C)C3=CC=C(C(C(F)(F)F)=C3)Cl
Molecular Formula
C23H26ClF3N2O2
Molecular Weight
454.91
References & Citations
[1]Maruyama Y, et al. Pseudoirreversible inhibition elicits persistent efficacy of a sphigosine-1-phosphate receptor-1 antagonist[J]. bioRxiv, 2023: 2023.05. 08.539826.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
S1PR1

Chemical Information

CID 91666634
CAS Number1807873-14-8
PubChem CID91666634
IUPAC Name1-[[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-methylphenyl]methyl]azetidine-3-carboxylic acid
Molecular FormulaC23H26ClF3N2O2
Molecular Weight454.9
XLogP3
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity614
SMILES
CCN(C1=CC(=C(C=C1)Cl)C(F)(F)F)C(C)C2=CC(=C(C=C2)C)CN3CC(C3)C(=O)O
InChI
InChI=1S/C23H26ClF3N2O2/c1-4-29(19-7-8-21(24)20(10-19)23(25,26)27)15(3)16-6-5-14(2)17(9-16)11-28-12-18(13-28)22(30)31/h5-10,15,18H,4,11-13H2,1-3H3,(H,30,31)
InChIKey
CEBVCUSXXIVBGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 91666634
CAS: 1807873-14-8
CID: 91666634
Formula: C23H26ClF3N2O2
MW: 454.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.9
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass454.1634903
Monoisotopic Mass454.1634903
Topological Polar Surface Area43.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-12703-01KSI-3716
HY-12703SKSI-3716-d4
HY-P71446-01Endothelin-1/EDN1, Rat (His-KSI)
HY-101120-01666-15
HY-160097-01AXC-666
HY-16926-01CK-666
HY-101120R666-15 (Standard)
HY-W953258CRBN ligand-666
HY-RI04554-01Rno-miR-666-5p inhibitor
HY-RI04553A-01Rno-miR-666-3p antagomir

Alternative Products

CatalogName
T88504-01KSI-6666
ABC-TC0985RPMI 6666
T11783-01KSI-3716
TR316737SOX22 (SOX12) Human shRNA Plasmid Kit (Locus ID 6666)
TL316737VSOX22 (SOX12) Human shRNA Lentiviral Particle (Locus ID 6666)
SR304536SOX22 (SOX12) Human siRNA Oligo Duplex (Locus ID 6666)
TMPH-04510-01DEFA24 Protein, Mouse, Recombinant (His & KSI)
TMPH-01724-01MRTFA Protein, Human, Recombinant (His & KSI)
TMPH-01677-01MBD2 Protein, Human, Recombinant (His & KSI)
TMPH-00496-01Osteocalcin Protein, Canine, Recombinant (His & KSI)

Popular Products