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SB-297006

CAT: 1568-C07017-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C07017-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58816-69-6
SKU
C07017-5mg
Target
CCR
Applications
GPCR & G Protein
Smiles
CCOC (=O) C (CC1=CC=C (C=C1) [N+] (=O) [O-]) NC (=O) C2=CC=CC=C2
Molecular Formula
C18H18N2O5
Additionnal Information
SB-297006 is an antagonist of C-C chemokine receptor 3 (CCR3) that suppresses antigen-induced accumulation of T (h) 2 as well as eosinophils in the lungs. SB-297006 suppressed CCL11-induced Th2 chemotaxis with IC50 of 2.5 μM.
Storage Conditions
3 years -20°C powder

Chemical Information

Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
CAS Number58816-69-6
PubChem CID9840971
IUPAC Nameethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
Molecular FormulaC18H18N2O5
Molecular Weight342.3
XLogP3.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity463
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18N2O5/c1-2-25-18(22)16(19-17(21)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(23)24/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
InChIKey
BEZXGSZPWXRHIN-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
CAS: 58816-69-6
CID: 9840971
Formula: C18H18N2O5
MW: 342.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.3
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass342.12157168
Monoisotopic Mass342.12157168
Topological Polar Surface Area101 Ų
Heavy Atom Count25
Formal Charge0
Complexity463
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