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MI-3

CAS No.:
1271738-59-0
Catalog Number:
AG009CD8
Molecular Formula:
C18H25N5S2
Molecular Weight:
375.5546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$273
- +
10mg
99%
1 week
United States
$407
- +
50mg
99%
1 week
United States
$1223
- +
100mg
99%
1 week
United States
$1557
- +
Product Description
Catalog Number:
AG009CD8
Chemical Name:
MI-3
CAS Number:
1271738-59-0
Molecular Formula:
C18H25N5S2
Molecular Weight:
375.5546
MDL Number:
MFCD28348362
IUPAC Name:
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C18H25N5S2/c1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17/h9,11-12H,5-8,10H2,1-4H3
InChI Key:
FUGQNAUKABUDQI-UHFFFAOYSA-N
SMILES:
CC(c1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)C
Properties
Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.155g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.553g/mol
Monoisotopic Mass:
375.155g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia. Nature chemical biology 20120129
Leukemia proto-oncoprotein MLL forms a SET1-like histone methyltransferase complex with menin to regulate Hox gene expression. Molecular and cellular biology 20040701
Menin associates with a trithorax family histone methyltransferase complex and with the hoxc8 locus. Molecular cell 20040227
Properties