AMG 487

CAT: 0957-S8682-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-S8682-5mgSize:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

473719-41-4

Target

CXCR

Applications

GPCR & G Protein

Smiles

CCOC1=CC=C (C=C1) N2C (=O) C3=CC=CN=C3N=C2C (C) N (CC4=CC=CN=C4) C (=O) CC5=CC=C (OC (F) (F) F) C=C5

Molecular Formula

C32H28F3N5O4

Additionnal Information

AMG 487 is an orally active and selective CXC chemokine receptor 3 (CXCR3) antagonist that inhibits the binding of IP-10 (CXCL10) and ITAC (CXCL11) to CXCR3 with IC50 of 8.0 nM and 8.2 nM, respectively.

Storage Conditions

3 years -20°C powder

Chemical Information

Amg-487

CAS Number	473719-41-4
PubChem CID	24957182
IUPAC Name	N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Molecular Formula	C32H28F3N5O4
Molecular Weight	603.6
XLogP	5.2
Topological Polar Surface Area	97.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	44
Formal Charge	0
Complexity	997

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

CAS: 473719-41-4

CID: 24957182

Formula: C32H28F3N5O4

MW: 603.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	603.6
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	603.20933888
Monoisotopic Mass	603.20933888
Topological Polar Surface Area	97.2 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	997
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AMG 487

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