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MI-2-2

CAT: 1410-M11965-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MI-2-2 is a potent inhibitor of the menin-MLL interaction that binds to menin with low nanomolar affinity (Kd=22 nM) .
CAS Number
1454920-20-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
415.497
Molecular Formula
C17H20F3N5S2
Notes
Research use only, not for human use.
Receptor
HMTase

Chemical Information

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CAS Number1454920-20-7
PubChem CID72201086
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
Molecular FormulaC17H20F3N5S2
Molecular Weight415.5
XLogP3.9
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity577
SMILES
CC1(CN=C(S1)N2CCN(CC2)C3=C4C=C(SC4=NC=N3)CC(F)(F)F)C
InChI
InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3
InChIKey
SFDROHXKTATJBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CAS: 1454920-20-7
CID: 72201086
Formula: C17H20F3N5S2
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass415.11122249
Monoisotopic Mass415.11122249
Topological Polar Surface Area98.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes