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CPUL1

CAT: 0013-GTR19212014-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212014-02Size:50 mg
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Description
CPUL1 is a thioredoxin reductase (TrxR) inhibitor that suppresses proliferation and metastasis in A549 lung cancer cells. It induces ROS-mediated ERK/JNK signaling to modulate epithelial-mesenchymal transition (EMT) . Its anti-tumor activity is further potentiated in combination with α-Lipoic Acid or Dithiodipropionic acid, supporting its investigation in oncology research.
CAS Number
2043660-80-4
Smiles
C (#N) C=1C (C2=C3C (N=C4C (=N3) C=CC=C4) =CC (N) =C2OC1N) C5=CC (Cl) =C (Cl) C=C5
Molecular Formula
C22H13Cl2N5O
Molecular Weight
434.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 137645134
CAS Number2043660-80-4
PubChem CID137645134
IUPAC Name3,5-diamino-1-(3,4-dichlorophenyl)-1H-pyrano[3,2-a]phenazine-2-carbonitrile
Molecular FormulaC22H13Cl2N5O
Molecular Weight434.3
XLogP4.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity753
SMILES
C1=CC=C2C(=C1)N=C3C=C(C4=C(C3=N2)C(C(=C(O4)N)C#N)C5=CC(=C(C=C5)Cl)Cl)N
InChI
InChI=1S/C22H13Cl2N5O/c23-12-6-5-10(7-13(12)24)18-11(9-25)22(27)30-21-14(26)8-17-20(19(18)21)29-16-4-2-1-3-15(16)28-17/h1-8,18H,26-27H2
InChIKey
HTMNMHIFUPOACL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 137645134
CAS: 2043660-80-4
CID: 137645134
Formula: C22H13Cl2N5O
MW: 434.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.3
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass433.0497154
Monoisotopic Mass433.0497154
Topological Polar Surface Area111 Ų
Heavy Atom Count30
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5815664CPUL1

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