Products for Research Use Only
RegisterLogin

TQFL13

CAT: 0013-GTR19272928-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19272928-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
TQFL13 is a derivative of Thymoquinone (TQ) with notable anti-breast cancer activity. It exhibits higher cytotoxicity against breast cancer cells (BT549, MDA-MB-231, 4T1), induces apoptosis, and arrests the cell cycle at the S and G2/G1 phases. TQFL13 demonstrates dose-dependent antitumor activity in murine breast cancer xenograft models and is useful for breast cancer research.
CAS Number
2822560-46-1
Smiles
O=C1C=C (C (=O) C (N=CC2=CC=C (OC) C (OC) =C2OC) =C1C) C (C) C
Molecular Formula
C20H23NO5
Molecular Weight
357.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methyl-5-propan-2-yl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]cyclohexa-2,5-diene-1,4-dione
CAS Number2822560-46-1
PubChem CID178421032
IUPAC Name2-methyl-5-propan-2-yl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]cyclohexa-2,5-diene-1,4-dione
Molecular FormulaC20H23NO5
Molecular Weight357.4
XLogP3
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity647
SMILES
CC1=C(C(=O)C(=CC1=O)C(C)C)N=CC2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C20H23NO5/c1-11(2)14-9-15(22)12(3)17(18(14)23)21-10-13-7-8-16(24-4)20(26-6)19(13)25-5/h7-11H,1-6H3
InChIKey
IBZRQBDUOWIIQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-5-propan-2-yl-3-[(2,3,4-trimethoxyphenyl)methylideneamino]cyclohexa-2,5-diene-1,4-dione
CAS: 2822560-46-1
CID: 178421032
Formula: C20H23NO5
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass357.15762283
Monoisotopic Mass357.15762283
Topological Polar Surface Area74.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity647
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

Alternative Products

CatalogName
HY-175846TQFL13

Popular Products