Ralimetinib MesylateProduct ingredient for Ralimetinib

Name

Ralimetinib Mesylate

Drug Entry

Ralimetinib

Ralimetinib has been used in trials studying the treatment of Postmenopausal, Advanced Cancer, Adult Glioblastoma, Fallopian Tube Cancer, and Metastatic Breast Cancer, among others.

See full entry for Ralimetinib

Accession Number

DBSALT002074

Structure

Similar Structures

Synonyms

Not Available

UNII

QUW7B71FO9

CAS Number

862507-23-1

Weight

Average: 612.74
Monoisotopic: 612.220003446

Chemical Formula

C₂₆H₃₇FN₆O₆S₂

InChI Key

NARMJPIBAXVUIE-UHFFFAOYSA-N

InChI

InChI=1S/C24H29FN6.2CH4O3S/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;2*1-5(2,3)4/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);2*1H3,(H,2,3,4)

IUPAC Name

5-[2-tert-butyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine; bis(methanesulfonic acid)

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CC(C)(C)CN1C(N)=NC2=CC=C(N=C12)C1=C(NC(=N1)C(C)(C)C)C1=CC=C(F)C=C1

External Links

ChemSpider: 9745575
ChEMBL: CHEMBL2364627

Predicted Properties

Property	Value	Source
Water Solubility	0.00371 mg/mL	ALOGPS
logP	5.62	ALOGPS
logP	6.04	Chemaxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	11.83	Chemaxon
pKa (Strongest Basic)	4.41	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	4	Chemaxon
Hydrogen Donor Count	2	Chemaxon
Polar Surface Area	85.41 Å²	Chemaxon
Rotatable Bond Count	5	Chemaxon
Refractivity	120.7 m³·mol^-1	Chemaxon
Polarizability	46.67 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Ralimetinib MesylateProduct ingredient for Ralimetinib

Structure for Ralimetinib Mesylate (DBSALT002074)