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I3IN-002

CAT: 0013-GTR19264368-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264368-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
I3IN-002 is a small molecule inhibitor targeting the RNA-binding protein IGF2BP3, with an IC50 value of approximately 2 μM in SEM cells. It disrupts the interaction with m6A-modified mRNA, destabilizing target genes (such as CDK6, MYC, and BCL2), thereby inhibiting the growth of leukemia cells, inducing cell cycle arrest, and promoting apoptosis. I3IN-002 shows potential for research in B-cell acute lymphoblastic leukemia.
CAS Number
552829-57-9
Field of Research
Cell Biology, Signal Transduction
Smiles
O=C (NC=1C=CC=CC1C (F) (F) F) CSC=2N=NC3=C (N2) NC4=CC=C (C=C34) CC
Molecular Formula
C20H16F3N5OS
Molecular Weight
431.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS Number552829-57-9
PubChem CID5770484
IUPAC Name2-[(8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Molecular FormulaC20H16F3N5OS
Molecular Weight431.4
XLogP4.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity609
SMILES
CCC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)NC4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C20H16F3N5OS/c1-2-11-7-8-14-12(9-11)17-18(25-14)26-19(28-27-17)30-10-16(29)24-15-6-4-3-5-13(15)20(21,22)23/h3-9H,2,10H2,1H3,(H,24,29)(H,25,26,28)
InChIKey
ZQCIRLNZPPZIJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS: 552829-57-9
CID: 5770484
Formula: C20H16F3N5OS
MW: 431.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass431.10276581
Monoisotopic Mass431.10276581
Topological Polar Surface Area109 Ų
Heavy Atom Count30
Formal Charge0
Complexity609
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

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