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MI-3

CAT: 0013-GTR19174808-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174808-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MI-3 is a small molecule inhibitor that disrupts the Menin-MLL protein interaction with an IC50 of 648 nM. It is a valuable research tool for studying the role of this interaction in leukemia, supporting both in vitro biochemical and cellular assays.
CAS Number
1271738-59-0
Product Name Alternative
HistoneMethyltransferase, Histone Methyltransferase, Inhibitor, Menin-MLL, Menin-MLL Inhibitor, Menin-MLL inhibitor 3, Epigenetic Reader Domain, EpigeneticReaderDomain, MI 3, MI3, MI-3, inhibit, Apoptosis
Field of Research
Cell Biology, Epigenetics & Chromatin
Purity
98.66% (May vary between batches)
Solubility
Ethanol:16 mg/mL (42.6 mM) ; DMSO:16 mg/mL (42.6 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:0.5 mg/mL (1.33 mM)
Smiles
CC (C) c1cc2c (ncnc2s1) N1CCN (CC1) C1=NCC (C) (C) S1
Molecular Formula
C18H25N5S2
Molecular Weight
375.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine
CAS Number1271738-59-0
PubChem CID51001299
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine
Molecular FormulaC18H25N5S2
Molecular Weight375.6
XLogP3.7
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity516
SMILES
CC(C)C1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C
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
InChIKey
FUGQNAUKABUDQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine
CAS: 1271738-59-0
CID: 51001299
Formula: C18H25N5S2
MW: 375.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.6
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass375.15513817
Monoisotopic Mass375.15513817
Topological Polar Surface Area98.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity516
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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