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DASA-58

CAT: 0013-GTR19168056-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168056-02Size:5 mg
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Description
DASA-58 is a potent and selective small molecule activator of the Pyruvate Kinase M2 (PKM2) isoform. Its application in research includes studying cancer metabolism, where PKM2 modulation is explored in both cellular and animal models to investigate tumor growth and metabolic reprogramming.
CAS Number
1203494-49-8
Product Name Alternative
PKM2, Pyruvate Kinase, pyruvate kinase M2, TXNIP, inhibit, Inhibitor, glycolysis, AMPK, cancer metabolism, breast cancer, DASA 58, DASA58, DASA-58
Field of Research
Metabolism Research
Purity
96.96% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.28 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:125.5 mg/mL (276.72 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
Nc1cccc (c1) S (=O) (=O) N1CCCN (CC1) S (=O) (=O) c1ccc2OCCOc2c1
Molecular Formula
C19H23N3O6S2
Molecular Weight
453.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dasa-58

3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline is a member of benzenes and a sulfonamide.

CAS Number1203494-49-8
PubChem CID44543605
IUPAC Name3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
Molecular FormulaC19H23N3O6S2
Molecular Weight453.5
XLogP1.1
Topological Polar Surface Area136
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity794
SMILES
C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2
InChIKey
GMHIOMMKSMSRLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dasa-58
CAS: 1203494-49-8
CID: 44543605
Formula: C19H23N3O6S2
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass453.10282781
Monoisotopic Mass453.10282781
Topological Polar Surface Area136 Ų
Heavy Atom Count30
Formal Charge0
Complexity794
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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A15895-100DASA-58 100mg
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