sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Takinib

Takinib

CAS No.:
1111556-37-6
Catalog Number:
AG01DUZB
Molecular Formula:
C18H18N4O2
Molecular Weight:
322.3611
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$682
- +
100mg
99%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG01DUZB
Chemical Name:
Takinib
CAS Number:
1111556-37-6
Molecular Formula:
C18H18N4O2
Molecular Weight:
322.3611
MDL Number:
MFCD11822633
IUPAC Name:
3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide
InChI:
InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
InChI Key:
UOZVVPXKJGOFIG-UHFFFAOYSA-N
SMILES:
CCCn1c(NC(=O)c2cccc(c2)C(=O)N)nc2c1cccc2
Properties
Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.143g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
322.368g/mol
Monoisotopic Mass:
322.143g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-α Inhibition for Cancer and Autoimmune Disease. Cell chemical biology 20170817
Biliary excretion of colchicine in newborn rats. Drug metabolism and disposition: the biological fate of chemicals 19750101
Properties