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MI-503

CAT: 0013-GTR19166320-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166320-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MI-503 is a potent and selective Menin-MLL interaction inhibitor exhibiting an IC50 of 14.7 nM. It demonstrates significant anti-proliferative activity in human MLL-rearranged leukemia cell lines with GI values ranging from 250 to 570 nM, supporting its use in both in vitro and in vivo cancer research.
CAS Number
1857417-13-0
Product Name Alternative
MI 503, MI503, MI-503, Inhibitor, inhibit, Epigenetic Reader Domain, EpigeneticReaderDomain, Menin-MLL, Histone Methyltransferase, HistoneMethyltransferase
Field of Research
Epigenetics & Chromatin
Purity
99.87% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.54 mM) ; DMSO:45 mg/mL (79.7 mM) ; H2O:Insoluble
Smiles
Cc1c (CN2CCC (CC2) Nc2ncnc3sc (CC (F) (F) F) cc23) ccc2n (Cc3cn[nH]c3) c (cc12) C#N
Molecular Formula
C28H27F3N8S
Molecular Weight
564.63
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

1-((1H-pyrazol-4-yl)methyl)-4-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 Number1857417-13-0
PubChem CID91667931
IUPAC Name4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
Molecular FormulaC28H27F3N8S
Molecular Weight564.6
XLogP5.8
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity908
SMILES
CC1=C(C=CC2=C1C=C(N2CC3=CNN=C3)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC=N5)CC(F)(F)F
InChI
InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)
InChIKey
DETOMBLLEOZTMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((1H-pyrazol-4-yl)methyl)-4-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: 1857417-13-0
CID: 91667931
Formula: C28H27F3N8S
MW: 564.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass564.20314855
Monoisotopic Mass564.20314855
Topological Polar Surface Area127 Ų
Heavy Atom Count40
Formal Charge0
Complexity908
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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