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Doramapimod

CAT: 0931-T6277-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T6277-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
285983-48-4
Target
Autophagy, Raf, p38 MAPK
Related Pathways
MAPK, Autophagy
Purity
0.9965
Bioactivity
Doramapimod (BIRB 796) is a highly potent inhibitor of p38 MAPK (Kd: 0.1 nM), but weakly inhibits c-RAF, Fyn, Lck, ERK-1, SYK, IKK2, and ZAP-70.
Smiles
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Molecular Formula
C31H37N5O3
Molecular Weight
527.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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