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Enzomenib

CAT: 0013-GTR19239234-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239234-03Size:100 mg
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Description
Enzomenib (DSP5336) is a small molecule menin-MLL interaction inhibitor used in hematological malignancy research. It has demonstrated activity in both in vitro assays and in vivo models of acute leukemia driven by MLL rearrangements or NPM1 mutations.
CAS Number
2412555-70-3
Field of Research
Epigenetics & Chromatin
Smiles
C (=O) (N1CCC2 (CN (C2) C=3C (OC4=C (C (N (C (C) C) C (C) C) =O) C=C (F) C=C4) =CN=CN3) CC1) [C@@H]5[C@]6 (C (=C) C[C@@] (N5) (CC6) [H]) [H]
Molecular Formula
C33H43FN6O3
Molecular Weight
590.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dsp-5336

DSP-5336 is a menin inhibitor.

CAS Number2412555-70-3
PubChem CID146430058
IUPAC Name5-fluoro-2-[4-[7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide
Molecular FormulaC33H43FN6O3
Molecular Weight590.7
XLogP4
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1030
SMILES
CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)[C@@H]5[C@@H]6CC[C@H](N5)CC6=C
InChI
InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1
InChIKey
JQHJEDMMWUIYCE-FVVBACEJSA-N
Chemical Structure
2D Structure
2D structure of Dsp-5336
CAS: 2412555-70-3
CID: 146430058
Formula: C33H43FN6O3
MW: 590.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.7
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass590.33806742
Monoisotopic Mass590.33806742
Topological Polar Surface Area90.9 Ų
Heavy Atom Count43
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-156794-01Enzomenib
A24436-5Enzomenib (DSP-5336) 5mg
A24436-100Enzomenib (DSP-5336) 100mg
A24436-10Enzomenib (DSP-5336) 10mg
A24436-50Enzomenib (DSP-5336) 50mg

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