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INDY

CAT: 0804-HY-108476-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-108476-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
INDY is a potent and ATP-competitive Dyrk1A and Dyrk1B inhibitor with IC50s of 0.24 μM and 0.23 μM, respectively. INDY binds in the ATP pocket of the enzyme and has a Ki value of 0.18 μM for Dyrk1A. INDY sharply reduces the self-renewal capacity of normal and tumorigenic cells in primary Glioblastoma (GBM) cell lines and neural progenitor cells[1][2].
CAS Number
1169755-45-6
UNSPSC
12352005
Target
DYRK
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/indy.html
Purity
99.32
Solubility
DMSO : ≥ 33.33 mg/mL
Smiles
CC(/C=C1SC2=CC=C(O)C=C2N\1CC)=O
Molecular Formula
C12H13NO2S
Molecular Weight
235.30
References & Citations
[1]Ogawa Y, et al. Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A. Nat Commun. 2010 Oct 5;1:86.|[2]Pozo N, et al. Inhibition of DYRK1A destabilizes EGFR and reduces EGFR-dependent glioblastomagrowth. J Clin Invest. 2013 Jun;123 (6) :2475-87.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
DYRK1

Chemical Information

(1z)-1-(3-Ethyl-5-Hydroxy-1,3-Benzothiazol-2(3h)-Ylidene)propan-2-One

INDY is a member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 M and 0.23 M, respectively). It has a role as an EC 2.7.12.1 (dual-specificity kinase) inhibitor, an antineoplastic agent and a drug metabolite. It is an organic hydroxy compound, a member of benzothiazoles and an enone.

CAS Number1169755-45-6
PubChem CID44136031
IUPAC Name(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one
Molecular FormulaC12H13NO2S
Molecular Weight235.30
XLogP2.2
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity316
SMILES
CCN\1C2=C(C=CC(=C2)O)S/C1=C\C(=O)C
InChI
InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3/b12-6-
InChIKey
GCSZJMUFYOAHFY-SDQBBNPISA-N
Chemical Structure
2D Structure
2D structure of (1z)-1-(3-Ethyl-5-Hydroxy-1,3-Benzothiazol-2(3h)-Ylidene)propan-2-One
CAS: 1169755-45-6
CID: 44136031
Formula: C12H13NO2S
MW: 235.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.30
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass235.06669983
Monoisotopic Mass235.06669983
Topological Polar Surface Area65.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes