Doramapimod

CAT: 0421-27034-2Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0421-27034-2Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Doramapimod is a protein kinase inhibitor with a >330-fold selectivity for p38 MAPK compared with 12 other protein kinases. Doramapimod prevents both the kinetic activity and phosphorylation of p38 MAPK by binding to the ATP pocket as well as to a novel allosteric binding site on p38 MAPK. Doramapimod also blocks proliferation of cells expressing BCR-ABL (T315I), with an IC50 of 2-3 µM.

CAS Number

285983-48-4

Purity

98% by TLC NMR

Format

White to off-white solid.

Solubility

Soluble in DMSO (up to 50 mg/mL) or in Ethanol (up to 30 mg/mL)

Molecular Formula

C31H37N5O3

Shipping Conditions

-20°C

Storage Conditions

Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months.

Calculated Molecular Weight

527.66 Da

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 Number	285983-48-4
PubChem CID	156422
IUPAC Name	1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
Molecular Formula	C31H37N5O3
Molecular Weight	527.7
XLogP	5.7
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	777

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

CAS: 285983-48-4

CID: 156422

Formula: C31H37N5O3

MW: 527.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
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	80.7 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	777
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-10320-01	Doramapimod
A10148-10	Doramapimod 10mg
HY-10320R-01	Doramapimod (Standard)
HY-10320A-01	Doramapimod (hydrochloride)
MBS5813599	Doramapimod HCl

Doramapimod

Chemical Information

Alternative Products

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