Products for Research Use Only

AM966

CAT: 1410-M17206-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M17206-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AM966, a excellent affinity, specific, oral LPA1 (IC50=17 nM) antagonist, suppresses LPA-stimulated intracellular calcium release.
CAS Number
1228690-19-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
490.94
Molecular Formula
C27H23ClN2O5
Notes
Research use only, not for human use.
Receptor
LPA1

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