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Snail/HDAC-IN-1

CAT: 1410-M35709-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Snail/HDAC-IN-1 is a Snail/HDAC inhibitor with antimicrobial and anticancer activity, known to reduce Snail protein expression and induce apoptosis, making it useful for the study of solid tumors.
CAS Number
2415281-52-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
488.54
Molecular Formula
C24H21FN8OS
Notes
Research use only, not for human use.
Receptor
Apoptosis | Antifungal

Chemical Information

Snail/HDAC-IN-1
CAS Number2415281-52-4
PubChem CID153528580
IUPAC NameN-(2-amino-4-fluorophenyl)-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylmethyl]benzamide
Molecular FormulaC24H21FN8OS
Molecular Weight488.5
XLogP3.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity713
SMILES
CC1=CC(=NN1)NC2=NC(=NN3C2=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)N
InChI
InChI=1S/C24H21FN8OS/c1-14-11-21(31-30-14)28-22-20-3-2-10-33(20)32-24(29-22)35-13-15-4-6-16(7-5-15)23(34)27-19-9-8-17(25)12-18(19)26/h2-12H,13,26H2,1H3,(H,27,34)(H2,28,29,30,31,32)
InChIKey
FWJQLBLNLGDLIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Snail/HDAC-IN-1
CAS: 2415281-52-4
CID: 153528580
Formula: C24H21FN8OS
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass488.15430666
Monoisotopic Mass488.15430666
Topological Polar Surface Area151 Ų
Heavy Atom Count35
Formal Charge0
Complexity713
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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