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PH-797804

CAT: 1568-C17027-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C17027-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
586379-66-0
SKU
C17027-10mg
Target
P38 MAPK
Applications
MAPK
Smiles
CC1=C (C=C (C=C1) C (=O) NC) N2C (=CC (=C (C2=O) Br) OCC3=C (C=C (C=C3) F) F) C
Molecular Formula
C22H19BrF2N2O3
Additionnal Information
PH-797804 is a novel pyridinone inhibitor of p38α with IC50 of 26 nM in a cell-free assay; 4-fold more selective versus p38β and does not inhibit JNK2. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

PH 797804

PH 797804 is a member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. It has a role as an anti-inflammatory agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of benzamides, an aromatic ether, an organobromine compound, an organofluorine compound and a pyridone.

CAS Number586379-66-0
PubChem CID22049997
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
Molecular FormulaC22H19BrF2N2O3
Molecular Weight477.3
XLogP4.2
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity742
SMILES
CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C
InChI
InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
InChIKey
KCAJXIDMCNPGHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PH 797804
CAS: 586379-66-0
CID: 22049997
Formula: C22H19BrF2N2O3
MW: 477.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.3
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass476.05471
Monoisotopic Mass476.05471
Topological Polar Surface Area58.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity742
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

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Alternative Products

CatalogName
A8308-5.1PH-797804
FP103244-01PH 797804
HY-10403A(aS) -PH-797804
IEC02780-01(S) - (-) -pH-797804

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