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mi503

CAS No.:
1857417-13-0
Catalog Number:
AG00AMGP
Molecular Formula:
C28H27F3N8S
Molecular Weight:
564.6278
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$251
- +
5mg
99%
1 week
United States
$390
- +
10mg
99%
1 week
United States
$612
- +
25mg
99%
1 week
United States
$1154
- +
50mg
99%
1 week
United States
$1626
- +
Product Description
Catalog Number:
AG00AMGP
Chemical Name:
mi503
CAS Number:
1857417-13-0
Molecular Formula:
C28H27F3N8S
Molecular Weight:
564.6278
MDL Number:
MFCD28506303
IUPAC Name:
4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
InChI:
InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)
InChI Key:
DETOMBLLEOZTMZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(n1Cc1c[nH]nc1)ccc(c2C)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F
Properties
Complexity:
908  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.203g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
564.635g/mol
Monoisotopic Mass:
564.203g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Literature
Title Journal
Pharmacologic inhibition of the Menin-MLL interaction blocks progression of MLL leukemia in vivo. Cancer cell 20150413
Properties