Balomenib

CAT: 0013-GTR19259101-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19259101-02Size:10 mg

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Description

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.

CAS Number

2939850-17-4

Field of Research

Epigenetics & Chromatin

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

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Balomenib

CAS Number	2939850-17-4
PubChem CID	172395801
IUPAC Name	4-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 Formula	C33H34F3N7O2
Molecular Weight	617.7
XLogP	4.7
Topological Polar Surface Area	99.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	45
Formal Charge	0
Complexity	1120

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

CAS: 2939850-17-4

CID: 172395801

Formula: C33H34F3N7O2

MW: 617.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	617.7
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	617.27260784
Monoisotopic Mass	617.27260784
Topological Polar Surface Area	99.3 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
RG-E141623-01	Balomenib

Balomenib

Chemical Information

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