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Doramapimod

CAT: 1410-M13869-08Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M13869-08Size:1 g
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Description
A highly potent p38 MAPK inhibitor with Kd of 0.1 nM.
CAS Number
285983-48-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
527.6572
Molecular Formula
C31H37N5O3
Notes
Research use only, not for human use.
Receptor
P38α

Chemical Information

Doramapimod

Doramapimod is a member of the class of pyrazoles that is an immunomodulator used for treatment of rheumatoid arthritis, Crohn's disease and psoriasis. It has a role as an immunomodulator and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of naphthalenes, a member of pyrazoles, an aromatic ether, a member of morpholines and a member of ureas.

CAS Number285983-48-4
PubChem CID156422
IUPAC Name1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
Molecular FormulaC31H37N5O3
Molecular Weight527.7
XLogP5.7
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity777
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
InChI
InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
InChIKey
MVCOAUNKQVWQHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Doramapimod
CAS: 285983-48-4
CID: 156422
Formula: C31H37N5O3
MW: 527.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.7
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass527.28964006
Monoisotopic Mass527.28964006
Topological Polar Surface Area80.7 Ų
Heavy Atom Count39
Formal Charge0
Complexity777
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
HY-10320-01Doramapimod
A10148-10Doramapimod 10mg
HY-10320R-01Doramapimod (Standard)
HY-10320A-01Doramapimod (hydrochloride)

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