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THZ2

CAT: 0013-GTR19167739-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167739-01Size:1 mg
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Description
THZ2 (CDK7-IN-1) is a potent and selective CDK7 inhibitor derived from THZ1, exhibiting an IC50 of 13.9 nM. It is a research tool for investigating CDK7's role in transcription and cell cycle progression, with studies demonstrating its potential efficacy in models of triple-negative breast cancer (TNBC) both in vitro and in vivo.
CAS Number
1604810-84-5
Product Name Alternative
Inhibitor, inhibit, Cyclin dependent kinase, CDK7-IN-1, CDK, THZ2, THZ-2, THZ 2
Field of Research
Cell Biology
Purity
98.00% (May vary between batches)
Solubility
DMSO:39 mg/mL (68.9 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.53 mM)
Smiles
CN (C) C\C=C\C (=O) Nc1cccc (c1) C (=O) Nc1cccc (Nc2ncc (Cl) c (n2) -c2c[nH]c3ccccc23) c1
Molecular Formula
C31H28ClN7O2
Molecular Weight
566.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CAS Number1604810-84-5
PubChem CID78357763
IUPAC NameN-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
Molecular FormulaC31H28ClN7O2
Molecular Weight566.1
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity904
SMILES
CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
InChI
InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+
InChIKey
FONRCZUZCHXWBD-VGOFMYFVSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CAS: 1604810-84-5
CID: 78357763
Formula: C31H28ClN7O2
MW: 566.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.1
XLogP34.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass565.1993009
Monoisotopic Mass565.1993009
Topological Polar Surface Area115 Ų
Heavy Atom Count41
Formal Charge0
Complexity904
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

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Alternative Products

CatalogName
HY-12280-01THZ2
A22026-10THZ2 10mg
A22026-1THZ2 1mg
A22026-100THZ2 100mg
A22026-50THZ2 50mg
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A22026-5THZ2 5mg
A22026-10mM-DTHZ2 10mM * 1mL in DMSO

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