Products for Research Use Only

AM966

CAT: 0957-S3534-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0957-S3534-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
AM966 is a high affinity, selective, oral Lysophosphatidic acid receptor 1 (LPA1) antagonist, which can inhibit LPA-stimulated intracellular calcium release (IC50=17 nM, by Ca flux assay) .
CAS Number
1228690-19-4
Target
LPA Receptor
Activity
GPCR & G Protein
Molecular Formula
C27H23ClN2O5
Storage Conditions
3 years -20°C powder

Chemical Information

AM-966
CAS Number1228690-19-4
PubChem CID46240292
IUPAC Name2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
Molecular FormulaC27H23ClN2O5
Molecular Weight490.9
XLogP5.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity708
SMILES
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)O
InChI
InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1
InChIKey
WWQTWEWAPUCDDZ-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of AM-966
CAS: 1228690-19-4
CID: 46240292
Formula: C27H23ClN2O5
MW: 490.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight490.9
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass490.1295495
Monoisotopic Mass490.1295495
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity708
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