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TAK-243

CAT: 0931-T16974-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16974-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1450833-55-2
Target
NF-κB, Apoptosis, E1/E2/E3 Enzyme
Related Pathways
Apoptosis, NF-κB, Ubiquitination
Purity
0.9893
Bioactivity
TAK-243 (MLN7243) is a selective inhibitor of the ubiquitin-activating enzyme UAE (IC50=1 nM), blocking ubiquitin binding and disrupting both mono-ubiquitin signaling and overall protein ubiquitination. TAK-243 exhibits antitumor activity and promotes apoptosis.
Smiles
NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O
Molecular Formula
C19H20F3N5O5S2
Molecular Weight
519.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tak-243

TAK-243 is under investigation in clinical trial NCT03816319 (TAK-243 in Treating Patients With Relapsed or Refractory Acute Myeloid Leukemia or Refractory Myelodysplastic Syndrome or Chronic Myelomonocytic Leukemia).

CAS Number1450833-55-2
PubChem CID71715374
IUPAC Name[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
Molecular FormulaC19H20F3N5O5S2
Molecular Weight519.5
XLogP2
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity804
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)N
InChI
InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
InChIKey
KJDAGXLMHXUAGV-DGWLBADLSA-N
Chemical Structure
2D Structure
2D structure of Tak-243
CAS: 1450833-55-2
CID: 71715374
Formula: C19H20F3N5O5S2
MW: 519.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.5
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass519.08579559
Monoisotopic Mass519.08579559
Topological Polar Surface Area186 Ų
Heavy Atom Count34
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
206163TAK-243
BT165712-01TAK 243
HY-100487RTAK-243 (Standard)
A20369-25TAK-243 25mg
C13356-10mM/1mLTAK-243 (MLN7243)
A20369-100TAK-243 100mg
A20369-50TAK-243 50mg
A20369-2TAK-243 2mg

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