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MI-2-2

CAT: 0931-T28036-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T28036-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1454920-20-7
Target
Histone Methyltransferase, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Purity
0.9965
Bioactivity
MI-2-2 is an inhibitor of bivalent protein-protein interaction between menin and MLL with an IC50 of 46 nM. MI-2-2 binds to menin with Kd of 22 nM.
Smiles
C(C(F)(F)F)C1=CC2=C(N=CN=C2S1)N3CCN(CC3)C=4SC(C)(C)CN4
Molecular Formula
C17H20F3N5S2
Molecular Weight
415.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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