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AMX5160

CAT: 0013-GTR19257956-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257956-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AMX5160 (36) is an orally active BTK inhibitor with an IC50 value of 0.98 nM for BTKC481S. It is utilized in research pertaining to multiple sclerosis and other autoimmune diseases.
CAS Number
2639293-95-9
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
C (=O) (C=1C2=C (N[C@H]3CC[C@@H] (NC (C) =O) CC3) C=CN=C2NC1) C4=C (Cl) C=C (OC5=CC=CC=C5) C=C4
Molecular Formula
C28H27ClN4O3
Molecular Weight
502.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-[[3-(2-chloro-4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]acetamide
CAS Number2639293-95-9
PubChem CID174170157
IUPAC NameN-[4-[[3-(2-chloro-4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]acetamide
Molecular FormulaC28H27ClN4O3
Molecular Weight503.0
XLogP5.4
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity755
SMILES
CC(=O)NC1CCC(CC1)NC2=C3C(=CNC3=NC=C2)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl
InChI
InChI=1S/C28H27ClN4O3/c1-17(34)32-18-7-9-19(10-8-18)33-25-13-14-30-28-26(25)23(16-31-28)27(35)22-12-11-21(15-24(22)29)36-20-5-3-2-4-6-20/h2-6,11-16,18-19H,7-10H2,1H3,(H,32,34)(H2,30,31,33)
InChIKey
PNEJGHMXVOJHCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[[3-(2-chloro-4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]acetamide
CAS: 2639293-95-9
CID: 174170157
Formula: C28H27ClN4O3
MW: 503.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.0
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass502.1771684
Monoisotopic Mass502.1771684
Topological Polar Surface Area96.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T207216-01AMX5160

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