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AM095

CAT: 0931-T2000-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T2000-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1345614-59-6
Target
LPA Receptor, LPL Receptor
Related Pathways
GPCR/G Protein
Purity
0.9962
Bioactivity
AM095 is a potent LPA1 receptor antagonist with IC50 values of 0.98 and 0.73 μM for recombinant human or mouse LPA1 respectively.
Smiles
[Na+].C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(CC([O-])=O)cc1)c1ccccc1
Molecular Formula
C27H23N2NaO5
Molecular Weight
478.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium (R)-2-(4'-(3-methyl-4-(((1-phenylethoxy)carbonyl)amino)isoxazol-5-yl)-[1,1'-biphenyl]-4-yl)acetate
CAS Number1345614-59-6
PubChem CID53303875
IUPAC Namesodium 2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetate
Molecular FormulaC27H23N2NaO5
Molecular Weight478.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity672
SMILES
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)[O-].[Na+]
InChI
InChI=1S/C27H24N2O5.Na/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31;/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31);/q;+1/p-1/t18-;/m1./s1
InChIKey
BDKDADFSIDCQGB-GMUIIQOCSA-M
Chemical Structure
2D Structure
2D structure of Sodium (R)-2-(4'-(3-methyl-4-(((1-phenylethoxy)carbonyl)amino)isoxazol-5-yl)-[1,1'-biphenyl]-4-yl)acetate
CAS: 1345614-59-6
CID: 53303875
Formula: C27H23N2NaO5
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass478.15046612
Monoisotopic Mass478.15046612
Topological Polar Surface Area104 Ų
Heavy Atom Count35
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3601385-01AM095
A14180-25AM095 25mg
A13981-10AM095 10mg
406568AM095 sodium
A14180-5AM095 5mg
A13981-100AM095 100mg
A13981-200AM095 200mg
A13981-50AM095 50mg
A13981-1AM095 1mg
A13981-500AM095 500mg

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