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TP-238 (hydrochloride)

CAT: 0804-HY-114205A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114205A-01Size:5 mg
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Description
TP-238 hydrochloride is a potent and selective dual CECR2/BPTF probe with IC50 values of 30 nM and 350 nM, respectively. TP-238 hydrochloride also inhibits BRD9 with a pIC50 of 5.9 and is less active against other 338 kinases[1][2].
CAS Number
2415263-05-5
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tp-238-hydrochloride.html
Purity
99.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CN(C)CCCOC1=CC=C(C=C1)C2=CC(NCCCN3N=CC=C3)=NC(S(=O)(C)=O)=N2.[H]Cl
Molecular Formula
C22H31ClN6O3S
Molecular Weight
495.04
References & Citations
[1]Michael A Clegg, et al. Advancements in the Development of non-BET Bromodomain Chemical Probes. ChemMedChem. 2019 Feb 19;14 (4) :362-385.|[2]Peter D Ycas, et al. New Inhibitors for the BPTF Bromodomain Enabled by Structural Biology and Biophysical Assay Development. Org Biomol Chem. 2020 Jun 26.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
BRD9; CECR2

Chemical Information

TP-238 (hydrochloride)
CAS Number2415263-05-5
PubChem CID146018950
IUPAC Name6-[4-[3-(dimethylamino)propoxy]phenyl]-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine;hydrochloride
Molecular FormulaC22H31ClN6O3S
Molecular Weight495.0
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity636
SMILES
CN(C)CCCOC1=CC=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)C)NCCCN3C=CC=N3.Cl
InChI
InChI=1S/C22H30N6O3S.ClH/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28;/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26);1H
InChIKey
FHVADRKEPFRFFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TP-238 (hydrochloride)
CAS: 2415263-05-5
CID: 146018950
Formula: C22H31ClN6O3S
MW: 495.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass494.1866877
Monoisotopic Mass494.1866877
Topological Polar Surface Area111 Ų
Heavy Atom Count33
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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