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EMT inhibitor-3

CAT: 0804-HY-170929Size: 1 EachDry Ice: NoHazardous: No
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Description
EMT inhibitor-3 (compound 11i) is a epithelial-mesenchymal transition (EMT) inhibitor. EMT inhibitor-3 inhibits neuroblastoma SK-N-SH cells with an IC50 of 2.5 μM. EMT inhibitor-3 inhibits SK-N-SH cell proliferation, migration, and invasion. EMT inhibitor-3 increases the Bax/Bcl-2 protein expression ratio, promotes Cytochrome C release from mitochondria, and activates caspases 9 and caspases 3, inducing mitochondria-mediated endogenous tumor cell Apoptosis. EMT inhibitor-3 is potential for cancer research[1].
CAS Number
2930726-89-7
UNSPSC
12352005
Target
Apoptosis; Bcl-2 Family; Caspase; Cytochrome P450
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C1C(C(N2N=C(C3=CC=C(F)C=C3)CC2C4=CC=C(F)C=C4)=O)=CC5=C(O1)C=C(OCCC[Se]C#N)C=C5
Molecular Formula
C29H21F2N3O4Se
Molecular Weight
592.45
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Bax; Bcl-2; Caspase 3; Caspase 9

Chemical Information

3-[3-[3,5-Bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-2-oxochromen-7-yl]oxypropyl selenocyanate
CAS Number2930726-89-7
PubChem CID176455451
IUPAC Name3-[3-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-2-oxochromen-7-yl]oxypropyl selenocyanate
Molecular FormulaC29H21F2N3O4Se
Molecular Weight592.5
Topological Polar Surface Area92
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity1010
SMILES
C1C(N(N=C1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C(C=C4)OCCC[Se]C#N)OC3=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C29H21F2N3O4Se/c30-21-7-2-18(3-8-21)25-16-26(19-4-9-22(31)10-5-19)34(33-25)28(35)24-14-20-6-11-23(15-27(20)38-29(24)36)37-12-1-13-39-17-32/h2-11,14-15,26H,1,12-13,16H2
InChIKey
HRNTZERCFUGRQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[3-[3,5-Bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-2-oxochromen-7-yl]oxypropyl selenocyanate
CAS: 2930726-89-7
CID: 176455451
Formula: C29H21F2N3O4Se
MW: 592.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass593.06653
Monoisotopic Mass593.06653
Topological Polar Surface Area92 Ų
Heavy Atom Count39
Formal Charge0
Complexity1010
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

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