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MI-1481

CAT: 1410-M12955-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MI-1481 (MI1481) is a highly potent inhibitor of the menin-MLL1 interaction with IC50 of 3.6 nM.
CAS Number
1887178-64-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
597.661
Molecular Formula
C29H30F3N7O2S
Notes
Research use only, not for human use.
Receptor
HMTase

Chemical Information

4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
CAS Number1887178-64-4
PubChem CID130376005
IUPAC Name4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
Molecular FormulaC29H30F3N7O2S
Molecular Weight597.7
XLogP4.8
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
CC1=C(C=CC2=C1C=C(N2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC=N5)CC(F)(F)F
InChI
InChI=1S/C29H30F3N7O2S/c1-17-18(2-3-25-23(17)8-20(11-33)39(25)14-21-12-34-26(40)15-41-21)13-38-6-4-19(5-7-38)37-27-24-9-22(10-29(30,31)32)42-28(24)36-16-35-27/h2-3,8-9,16,19,21H,4-7,10,12-15H2,1H3,(H,34,40)(H,35,36,37)/t21-/m0/s1
InChIKey
JTUOGOXWKQAKOR-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
CAS: 1887178-64-4
CID: 130376005
Formula: C29H30F3N7O2S
MW: 597.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.7
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass597.21337888
Monoisotopic Mass597.21337888
Topological Polar Surface Area136 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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