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DASA-58

CAS No.:
1203494-49-8
Catalog Number:
AG008TLO
Molecular Formula:
C19H23N3O6S2
Molecular Weight:
453.5324
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$251
- +
10mg
99%
1 week
United States
$373
- +
50mg
99%
1 week
United States
$1107
- +
100mg
99%
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG008TLO
Chemical Name:
DASA-58
CAS Number:
1203494-49-8
Molecular Formula:
C19H23N3O6S2
Molecular Weight:
453.5324
MDL Number:
MFCD29472280
IUPAC Name:
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
InChI:
InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2
InChI Key:
GMHIOMMKSMSRLY-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
794  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.103g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
453.528g/mol
Monoisotopic Mass:
453.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
2-Oxo-N-aryl-1,2,3,4-tetrahydroquinoline-6-sulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase. Bioorganic & medicinal chemistry letters 20111101
Evaluation of substituted N,N'-diarylsulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase. Journal of medicinal chemistry 20100211
Properties