Home Sulfos Benzaldehyde, 3-methyl-,[6-(4-morpholinyl)-2-[2-(2-pyridinyl)ethoxy]-4-pyrimidinyl]hydrazone,dimethanesulfonate

Benzaldehyde, 3-methyl-,[6-(4-morpholinyl)-2-[2-(2-pyridinyl)ethoxy]-4-pyrimidinyl]hydrazone,dimethanesulfonate

CAS No.:
870087-36-8
Catalog Number:
AG00IEBC
Molecular Formula:
C25H34N6O8S2
Molecular Weight:
610.7029
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Product Description
Catalog Number:
AG00IEBC
Chemical Name:
Benzaldehyde, 3-methyl-,[6-(4-morpholinyl)-2-[2-(2-pyridinyl)ethoxy]-4-pyrimidinyl]hydrazone,dimethanesulfonate
CAS Number:
870087-36-8
Molecular Formula:
C25H34N6O8S2
Molecular Weight:
610.7029
MDL Number:
MFCD28167749
IUPAC Name:
methanesulfonic acid;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
InChI:
InChI=1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;
InChI Key:
GAJWNIKZLYZYSY-OKUPSQOASA-N
SMILES:
CS(=O)(=O)O.CS(=O)(=O)O.Cc1cccc(c1)/C=N/Nc1nc(OCCc2ccccn2)nc(c1)N1CCOCC1
UNII:
5G3P5OK11S
Properties
Complexity:
637  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
610.188g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
610.701g/mol
Monoisotopic Mass:
610.188g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Identification of apilimod as a first-in-class PIKfyve kinase inhibitor for treatment of B-cell non-Hodgkin lymphoma. Blood 20170330
PIKfyve, a class III PI kinase, is the target of the small molecular IL-12/IL-23 inhibitor apilimod and a player in Toll-like receptor signaling. Chemistry & biology 20130725
Brief report: a phase IIa, randomized, double-blind, placebo-controlled trial of apilimod mesylate, an interleukin-12/interleukin-23 inhibitor, in patients with rheumatoid arthritis. Arthritis and rheumatism 20120601
Apilimod inhibits the production of IL-12 and IL-23 and reduces dendritic cell infiltration in psoriasis. PloS one 20120101
Therapeutic effect of the potent IL-12/IL-23 inhibitor STA-5326 on experimental autoimmune uveoretinitis. Arthritis research & therapy 20080101
Selective abrogation of Th1 response by STA-5326, a potent IL-12/IL-23 inhibitor. Blood 20070201
Drug evaluation: apilimod, an oral IL-12/IL-23 inhibitor for the treatment of autoimmune diseases and common variable immunodeficiency. IDrugs : the investigational drugs journal 20070101
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