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DMAPT

CAT: 0931-T11060-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T11060-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870677-05-7
Target
NF-κB
Related Pathways
NF-κB
Purity
>99.99%
Bioactivity
DMAPT (Dimethylamino Parthenolide) is an orally active NF-κB inhibitor and a Parthenolide (PTL) analogue with an LD50 value of 1.7 μM for primary acute myeloid leukemia cells. It has potential anti-tumor and anti-metastatic effects.
Smiles
[H][C@@]12CC\C(C)=C/CC[C@@]3(C)O[C@@H]3[C@@]1([H])OC(=O)[C@@H]2CN(C)C
Molecular Formula
C17H27NO3
Molecular Weight
293.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dimethylaminoparthenolide
CAS Number870677-05-7
PubChem CID129395999
IUPAC Name(1S,2R,4R,7Z,11S,12S)-12-[(dimethylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Molecular FormulaC17H27NO3
Molecular Weight293.4
XLogP1.9
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity459
SMILES
C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)[C@H](C(=O)O3)CN(C)C)C
InChI
InChI=1S/C17H27NO3/c1-11-6-5-9-17(2)15(21-17)14-12(8-7-11)13(10-18(3)4)16(19)20-14/h6,12-15H,5,7-10H2,1-4H3/b11-6-/t12-,13+,14-,15+,17+/m0/s1
InChIKey
UJNSFDHVIBGEJZ-CMRIBGNTSA-N
Chemical Structure
2D Structure
2D structure of Dimethylaminoparthenolide
CAS: 870677-05-7
CID: 129395999
Formula: C17H27NO3
MW: 293.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass293.19909372
Monoisotopic Mass293.19909372
Topological Polar Surface Area42.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes