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AMG 487

CAT: 0607-B3266-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B3266-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CXCR3 antagonist,potent and selective
CAS Number
473719-41-4
Product Name Alternative
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Purity
0.9964
Solubility
insoluble in H2O; ≥122 mg/mL in EtOH; ≥122.2 mg/mL in DMSO
Smiles
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F
Molecular Formula
C32H28F3N5O4
Molecular Weight
603.59
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Amg-487
CAS Number473719-41-4
PubChem CID24957182
IUPAC NameN-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Molecular FormulaC32H28F3N5O4
Molecular Weight603.6
XLogP5.2
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity997
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2[C@@H](C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
InChIKey
WQTKNBPCJKRYPA-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Amg-487
CAS: 473719-41-4
CID: 24957182
Formula: C32H28F3N5O4
MW: 603.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.6
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass603.20933888
Monoisotopic Mass603.20933888
Topological Polar Surface Area97.2 Ų
Heavy Atom Count44
Formal Charge0
Complexity997
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

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