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TM2-115

CAT: 0013-GTR19183623-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183623-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TM2-115 is a potent and irreversible inhibitor targeting Plasmodium histone methyltransferases, leading to rapid parasite death. This small molecule is a valuable chemical tool for investigating epigenetic mechanisms in malaria, supporting both in vitro and in vivo antimalarial research.
CAS Number
1197196-47-6
Product Name Alternative
Malaria, Parasite, TM2 115, TM2115, TM2-115
Field of Research
Epigenetics & Chromatin, Infectious Disease & Virology, Musculoskeletal & Connective Tissue Research
Purity
97.67% (May vary between batches)
Solubility
DMSO:45 mg/mL (91.72 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.08 mM)
Smiles
N (C=1C2=C (N=C (N1) N3CCN (C) CCC3) C=C (OCC4=CC=CC=C4) C (OC) =C2) C5CCN (C) CC5
Molecular Formula
C28H38N6O2
Molecular Weight
490.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(Benzyloxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CAS Number1197196-47-6
PubChem CID44607518
IUPAC Name6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
Molecular FormulaC28H38N6O2
Molecular Weight490.6
XLogP4.5
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity656
SMILES
CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCC5=CC=CC=C5
InChI
InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-20-21-8-5-4-6-9-21)25(35-3)18-23(24)27(31-28)29-22-10-14-33(2)15-11-22/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
InChIKey
BSZDSEMSNHXVRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(Benzyloxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CAS: 1197196-47-6
CID: 44607518
Formula: C28H38N6O2
MW: 490.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass490.30562448
Monoisotopic Mass490.30562448
Topological Polar Surface Area66 Ų
Heavy Atom Count36
Formal Charge0
Complexity656
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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