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Balomenib

CAT: 0931-T206488-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T206488-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2939850-17-4
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Bioactivity
Balomenib is an inhibitor of the menin-MLL interaction, effectively blocking the men1-MLL4-43 interaction with an IC50 of less than 0.075 μM. It inhibits cell growth in MV4-11 (CC50 < 0.1 μM), MOLM-13 (CC50 0.1~0.5 μM), and HEK293 (CC50 < 2 μM) cells. Balomenib also exhibits antitumor activity.
Smiles
C(N1CCC2(CN(C2)C=3C4=C(C=CC(CC(F)(F)F)=C4)N=CN3)CC1)C=5C(C)=C6C(=CC5)N(C[C@@H]7CNC(=O)CO7)C(C#N)=C6
Molecular Formula
C33H34F3N7O2
Molecular Weight
617.664
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Balomenib
CAS Number2939850-17-4
PubChem CID172395801
IUPAC Name4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]indole-2-carbonitrile
Molecular FormulaC33H34F3N7O2
Molecular Weight617.7
XLogP4.7
Topological Polar Surface Area99.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count45
Formal Charge0
Complexity1120
SMILES
CC1=C(C=CC2=C1C=C(N2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC5(CC4)CN(C5)C6=NC=NC7=C6C=C(C=C7)CC(F)(F)F
InChI
InChI=1S/C33H34F3N7O2/c1-21-23(3-5-29-26(21)11-24(13-37)43(29)16-25-14-38-30(44)17-45-25)15-41-8-6-32(7-9-41)18-42(19-32)31-27-10-22(12-33(34,35)36)2-4-28(27)39-20-40-31/h2-5,10-11,20,25H,6-9,12,14-19H2,1H3,(H,38,44)/t25-/m0/s1
InChIKey
GTFGTNVSMRVPEN-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Balomenib
CAS: 2939850-17-4
CID: 172395801
Formula: C33H34F3N7O2
MW: 617.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.7
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass617.27260784
Monoisotopic Mass617.27260784
Topological Polar Surface Area99.3 Ų
Heavy Atom Count45
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RG-E141623-01Balomenib

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