Home Halogens 1H-Indole-3-acetamide, 6-chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-α-oxo-

1H-Indole-3-acetamide, 6-chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-α-oxo-

CAS No.:
309913-83-5
Catalog Number:
AG0031UH
Molecular Formula:
C27H30ClFN4O3
Molecular Weight:
513.0035
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$257
- +
10mg
98%
1 week
United States
$373
- +
25mg
98%
1 week
United States
$723
- +
50mg
98%
1 week
United States
$1173
- +
Product Description
Catalog Number:
AG0031UH
Chemical Name:
1H-Indole-3-acetamide, 6-chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-α-oxo-
CAS Number:
309913-83-5
Molecular Formula:
C27H30ClFN4O3
Molecular Weight:
513.0035
MDL Number:
MFCD11973651
IUPAC Name:
2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
InChI:
InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1
InChI Key:
ZMELOYOKMZBMRB-DLBZAZTESA-N
SMILES:
Fc1ccc(cc1)CN1C[C@@H](C)N(C[C@@H]1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C
UNII:
B1E00KQ6NT
Properties
Complexity:
836  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
512.199g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
513.01g/mol
Monoisotopic Mass:
512.199g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Novel p38α mitogen-activated protein kinase inhibitor shows analgesic efficacy in acute postsurgical dental pain. Journal of clinical pharmacology 20120501
A 24-week, randomized, double-blind, placebo-controlled, parallel group study of the efficacy of oral SCIO-469, a p38 mitogen-activated protein kinase inhibitor, in patients with active rheumatoid arthritis. The Journal of rheumatology 20110501
Selective p38alpha inhibitors clinically evaluated for the treatment of chronic inflammatory disorders. Journal of medicinal chemistry 20100325
Design and synthesis of piperazine-indole p38 alpha MAP kinase inhibitors with improved pharmacokinetic profiles. Bioorganic & medicinal chemistry letters 20100201
Displacement assay for the detection of stabilizers of inactive kinase conformations. Journal of medicinal chemistry 20100114
Inhibition of p38: has the fat lady sung? Arthritis and rheumatism 20090201
Inhibition of p38alpha mitogen-activated protein kinase prevents the development of osteolytic bone disease, reduces tumor burden, and increases survival in murine models of multiple myeloma. Cancer research 20070515
American Society of Hematology--48th Annual Meeting and Exposition. Updates on hematological therapies. 9-12 December 2006 Orlando, FL, USA. IDrugs : the investigational drugs journal 20070201
Inhibition of overactivated p38 MAPK can restore hematopoiesis in myelodysplastic syndrome progenitors. Blood 20061215
Role of the p38 mitogen-activated protein kinase pathway in the generation of arsenic trioxide-dependent cellular responses. Cancer research 20060701
Normalizing the bone marrow microenvironment with p38 inhibitor reduces multiple myeloma cell proliferation and adhesion and suppresses osteoclast formation. Experimental cell research 20060610
Inhibition of p38alpha MAPK enhances proteasome inhibitor-induced apoptosis of myeloma cells by modulating Hsp27, Bcl-X(L), Mcl-1 and p53 levels in vitro and inhibits tumor growth in vivo. Leukemia 20060601
Developmental therapeutics for myelodysplastic syndromes. Journal of the National Comprehensive Cancer Network : JNCCN 20060101
New agents in the treatment of MDS. Clinical advances in hematology & oncology : H&O 20051101
p38 MAP kinase inhibitors: many are made, but few are chosen. Current opinion in drug discovery & development 20050701
Properties