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Cgi-1746

CAS No.:
910232-84-7
Catalog Number:
AG003A5V
Molecular Formula:
C34H37N5O4
Molecular Weight:
579.6887
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$122
- +
5mg
97%
1 week
United States
$154
- +
10mg
97%
1 week
United States
$210
- +
50mg
97%
1 week
United States
$321
- +
100mg
97%
1 week
United States
$460
- +
Product Description
Catalog Number:
AG003A5V
Chemical Name:
Cgi-1746
CAS Number:
910232-84-7
Molecular Formula:
C34H37N5O4
Molecular Weight:
579.6887
MDL Number:
MFCD18782602
IUPAC Name:
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
InChI:
InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
InChI Key:
JIFCFQDXHMUPGP-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
1070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
579.285g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
579.701g/mol
Monoisotopic Mass:
579.285g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Potent and selective Bruton's tyrosine kinase inhibitors: discovery of GDC-0834. Bioorganic & medicinal chemistry letters 20150315
Bruton's tyrosine kinase inhibitors: approaches to potent and selective inhibition, preclinical and clinical evaluation for inflammatory diseases and B cell malignancies. Journal of medicinal chemistry 20120524
Specific Btk inhibition suppresses B cell- and myeloid cell-mediated arthritis. Nature chemical biology 20110101
Properties