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MI-3454

CAT: 1410-M35130-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MI-3454 is an orally active, selective and potent inhibitor of Menin-MLL1 interaction that inhibits the proliferation and induces differentiation of acute leukemia cells with MLL1 translocation or NPM1 mutation.MI-3454 induces complete remission or regression of leukemia in a mouse model of leukemia with MLL1 rearrangement or NPM1 mutation through the down-regulation of key genes involved in leukemogenesis. complete remission or remission.
CAS Number
2134169-43-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
636.73
Molecular Formula
C32H35F3N8OS
Notes
Research use only, not for human use.
Receptor
Histone Methyltransferase

Chemical Information

CID 130443890
CAS Number2134169-43-8
PubChem CID130443890
IUPAC NameN-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]formamide
Molecular FormulaC32H35F3N8OS
Molecular Weight636.7
XLogP6.1
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count45
Formal Charge0
Complexity1120
SMILES
CC1=C(C=CC2=C1C=C(N2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)NC6=C7C=C(SC7=NC(=N6)NC)CC(F)(F)F
InChI
InChI=1S/C32H35F3N8OS/c1-19-20(3-4-26-24(19)9-22(12-36)43(26)17-30-14-31(15-30,16-30)38-18-44)13-42-7-5-21(6-8-42)39-27-25-10-23(11-32(33,34)35)45-28(25)41-29(37-2)40-27/h3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,38,44)(H2,37,39,40,41)
InChIKey
MBFYNGBMAACLAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 130443890
CAS: 2134169-43-8
CID: 130443890
Formula: C32H35F3N8OS
MW: 636.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.7
XLogP36.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass636.26066343
Monoisotopic Mass636.26066343
Topological Polar Surface Area139 Ų
Heavy Atom Count45
Formal Charge0
Complexity1120
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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