LASSBio-2052

CAT: 0931-T86800-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T86800-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2549160-15-6

Target

Others, Apoptosis, DNA/RNA Synthesis

Related Pathways

Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Apoptosis

Bioactivity

LASSBio-2052, a derivative of N-acylhydrazone with antitumor activity against hepatocellular carcinoma (HCC), inhibits HCC cells HepG2 and Hep3B with IC50 values of 18 and 41 μM, respectively. LASSBio-2052 arrests the cell cycle at G2/M phase through downregulation of FOXM1 and induces apoptosis in HCC cells [1].

Smiles

C(NN=CC1=CC=C(C(F)(F)F)C=C1)(=O)C2=C(NCC3=CC(O)=C(OC)C=C3)C=CC=C2

Molecular Formula

C23H20F3N3O3

Molecular Weight

443.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

LASSBio-2052

CAS Number	2549160-15-6
PubChem CID	171714319
IUPAC Name	2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Molecular Formula	C23H20F3N3O3
Molecular Weight	443.4
XLogP	5.4
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	623

SMILES

COC1=C(C=C(C=C1)CNC2=CC=CC=C2C(=O)N/N=C/C3=CC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C23H20F3N3O3/c1-32-21-11-8-16(12-20(21)30)13-27-19-5-3-2-4-18(19)22(31)29-28-14-15-6-9-17(10-7-15)23(24,25)26/h2-12,14,27,30H,13H2,1H3,(H,29,31)/b28-14+

InChIKey

HKEFPBIUONACLH-CCVNUDIWSA-N

Chemical Structure

2D Structure

CAS: 2549160-15-6

CID: 171714319

Formula: C23H20F3N3O3

MW: 443.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.4
XLogP3	5.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	443.14567599
Monoisotopic Mass	443.14567599
Topological Polar Surface Area	83 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	623
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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