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TM2-115

CAT: 0931-T9004-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9004-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197196-47-6
Target
Parasite, Histone Methyltransferase
Related Pathways
Microbiology/Virology, Chromatin/Epigenetic
Purity
0.9767
Bioactivity
TM2-115 is a inhibitor of malaria parasite histone methyltransferases that results in rapid and irreversible parasite death [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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CatalogName
BA2238-10TM2-115
GTR19154148-01TM2 115
GTR17971508Tm2 Antibody
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sc-221270(−) -AS 115
sc-205216A(+) -AS 115
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493967TM2D2 (TM2 Domain-Containing Protein 2, TM2 Domain Containing 2)
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B4809-25K-115

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