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Mel56

CAT: 0013-GTR19274760-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274760-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mel56 is a melanin precursor analogue that enhances melanin production in human melanoma cells. It exhibits cytotoxicity towards cancer cells and induces apoptosis (apoptosis) in melanoma cells. Mel56 is valuable for melanoma research.
CAS Number
2244868-05-9
Smiles
FC=1C (F) =C (F) C (OC=2N=C (N=C (N2) N3CCC (N (C) C) CC3) N4CC=5C=CC=CC5CCC4) =C (F) C1F
Molecular Formula
C26H27F5N6O
Molecular Weight
534.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N,N-dimethyl-1-[4-(2,3,4,5,6-pentafluorophenoxy)-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3,5-triazin-2-yl]piperidin-4-amine
CAS Number2244868-05-9
PubChem CID145987781
IUPAC NameN,N-dimethyl-1-[4-(2,3,4,5,6-pentafluorophenoxy)-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3,5-triazin-2-yl]piperidin-4-amine
Molecular FormulaC26H27F5N6O
Molecular Weight534.5
XLogP5.7
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity748
SMILES
CN(C)C1CCN(CC1)C2=NC(=NC(=N2)OC3=C(C(=C(C(=C3F)F)F)F)F)N4CCCC5=CC=CC=C5C4
InChI
InChI=1S/C26H27F5N6O/c1-35(2)17-9-12-36(13-10-17)24-32-25(37-11-5-8-15-6-3-4-7-16(15)14-37)34-26(33-24)38-23-21(30)19(28)18(27)20(29)22(23)31/h3-4,6-7,17H,5,8-14H2,1-2H3
InChIKey
OQRVCAQMTCGDGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-dimethyl-1-[4-(2,3,4,5,6-pentafluorophenoxy)-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3,5-triazin-2-yl]piperidin-4-amine
CAS: 2244868-05-9
CID: 145987781
Formula: C26H27F5N6O
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight534.5
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass534.21665032
Monoisotopic Mass534.21665032
Topological Polar Surface Area57.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity748
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