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Doramapimod

Doramapimod structure

CAS No:
285983-48-4
Formula:
C31H37N5O3
Chemical Name:
Doramapimod
Synonyms:
Urea,N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N′-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]-;N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N′-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea;Birb 796;Doramapimod;BIRB 796BS;1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;BRB 796;1-[5-tert-Butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;UNC 10225354;UNC10225354
Categories:
Biochemical Engineering > Inhibitors

Description

Doramapimod (BIRB 796) is a highly potent p38 MAPK inhibitor with an IC50 of 4 nM. It also inhibits B-Raf with an IC50 of 83 nM.

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 morpholines, a member of pyrazoles, a member of naphthalenes, a member of ureas and an aromatic ether.|Doramapimod is a P38 MAP kinase inhibitor.

Doramapimod Basic Attributes

Molecular Weight：

527.66

Exact Mass：

527.66

EC Number：

1308068-626-2

UNII：

HO1A8B3YVV

DSSTox ID：

DTXSID2048957

Characteristics

PSA：

80.6

XLogP3：

5.7

Density：

1.2±0.1 g/cm3

Melting Point：

142-143 °C

Boiling Point：

631.6±55.0°C at 760 mmHg

Flash Point：

335.8±31.5 °C

Refractive Index：

1.620

Vapor Pressure：

7.36E-16mmHg at 25°C

Drug Information

MeSH Entry Terms：

1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl)urea

Doramapimod Use and Manufacturing

Doramapimod is a highly potent inhibitor of p38 mitogen-activated protein kinase (MAPK). Doramapimod is a potential agent for the treatment of inflammatory diseases. Doramapimod blocks baseline and bortezomib-triggered upregulation of p38 MAPK and Hsp27 phosphorylation leading to enhanced cytotoxicity and caspase activation.

Computed Properties

Molecular Weight:527.7
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:527.28964006
Monoisotopic Mass:527.28964006
Topological Polar Surface Area:80.6
Heavy Atom Count:39
Complexity:777
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Doramapimod

CAS No.: 285983-48-4

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Creative Enzymes Contact Supplier

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BIRB 796(Doramapimod)

CAS No.: 285983-48-4

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