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MI-463

CAT: 1568-C12972-01Size: 2 mgDry Ice: YesHazardous: No
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CAT#:1568-C12972-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628317-18-9
SKU
C12972-2mg
Target
Histone Methyltransferase
Applications
Epigenetics
Smiles
CC1=C (C=CC2=C1C=C (N2) C#N) CN3CCC (CC3) NC4=C5C=C (SC5=NC=N4) CC (F) (F) F
Molecular Formula
C24H23F3N6S
Additionnal Information
MI-463 is a potent inhibitor of Menin-MLL interaction with an IC50 value of 15.3 nM.
Storage Conditions
2 years -80 in solvent

Chemical Information

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

MI-463 is an organic molecular entity. It has a role as an inhibitor.

CAS Number1628317-18-9
PubChem CID90455046
IUPAC Name4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
Molecular FormulaC24H23F3N6S
Molecular Weight484.5
XLogP5.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity751
SMILES
CC1=C(C=CC2=C1C=C(N2)C#N)CN3CCC(CC3)NC4=C5C=C(SC5=NC=N4)CC(F)(F)F
InChI
InChI=1S/C24H23F3N6S/c1-14-15(2-3-21-19(14)8-17(11-28)31-21)12-33-6-4-16(5-7-33)32-22-20-9-18(10-24(25,26)27)34-23(20)30-13-29-22/h2-3,8-9,13,16,31H,4-7,10,12H2,1H3,(H,29,30,32)
InChIKey
DZACSLYTXLZAAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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: 1628317-18-9
CID: 90455046
Formula: C24H23F3N6S
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass484.16570042
Monoisotopic Mass484.16570042
Topological Polar Surface Area109 Ų
Heavy Atom Count34
Formal Charge0
Complexity751
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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Alternative Products

CatalogName
BA4678-25MI-463
A20755-50MI-463 50mg
A20755-25MI-463 25mg
A20755-1MI-463 1mg
A20755-100MI-463 100mg
A20755-5MI-463 5mg
A20755-10MI-463 10mg

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