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THZ2

CAT: 0013-GTR19162989-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162989-01Size:200 mg
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Description
THZ2, an analogue of THZ1 with improved pharmacokinetic features, is a potent, selective CDK7 inhibitor with IC50 of 13.9 nM, displays a 5-fold improved half-life in vivo compared with THZ1; selectively targets CDK7 and potently inhibits the growth of triple-negative but not ER/PR+ breast cancer cells, efficiently suppresses the clonogenic growth of TNBC cells with IC50 of 10 nM; Like THZ1, THZ2 induces apoptotic cell death in triple-negative but not ER/PR+ breast cancer cells or normal human cells; suppresses the growth of triple-negative breast tumors in xenograft models.
CAS Number
1604810-84-5
Product Name Alternative
THZ-2
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 39 mg/mL
Smiles
O=C (NC1=CC=CC (NC2=NC=C (Cl) C (C3=CNC4=C3C=CC=C4) =N2) =C1) C5=CC=CC (NC (/C=C/CN (C) C) =O) =C5
Molecular Formula
C31H28ClN7O2
Molecular Weight
566.0527
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzamide, N-[3-[[5-chloro-4- (1H-indol-3-yl) -2-pyrimidinyl]amino]phenyl]-3-[[ (2E) -4- (dimethylamino) -1-oxo-2-buten-1-yl]amino]-

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
A22026-25THZ2 25mg
A22026-5THZ2 5mg
A22026-10mM-DTHZ2 10mM * 1mL in DMSO

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