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SKI-73

CAT: 0931-T205473-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205473-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2206744-61-6
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Bioactivity
SKI-73, a chemical probe of CARM1 with prodrug properties, swiftly penetrates cell membranes and converts into an active inhibitor. It is capable of inhibiting breast cancer cell invasion, making it useful for tumor research.
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](C[C@H](CC[C@H](NC(CC(C)(C)C4=C(C)C(=O)C(C)=C(C)C4=O)=O)C(NCCC5=CC=C(OC)C=C5)=O)CNCC6=CC=CC=C6)[C@H]1O
Molecular Formula
C46H58N8O8
Molecular Weight
851.002
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,5S)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-(benzylamino)-N-[2-(4-methoxyphenyl)ethyl]-2-[[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]hexanamide
CAS Number2206744-61-6
PubChem CID146680960
IUPAC Name(2S,5S)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-(benzylamino)-N-[2-(4-methoxyphenyl)ethyl]-2-[[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]hexanamide
Molecular FormulaC46H58N8O8
Molecular Weight851.0
XLogP3.2
Topological Polar Surface Area233
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Heavy Atom Count62
Formal Charge0
Complexity1640
SMILES
CC1=C(C(=O)C(=C(C1=O)C)C(C)(C)CC(=O)N[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)CNCC5=CC=CC=C5)C(=O)NCCC6=CC=C(C=C6)OC)C
InChI
InChI=1S/C46H58N8O8/c1-26-27(2)39(57)36(28(3)38(26)56)46(4,5)21-35(55)53-33(44(60)49-19-18-29-12-15-32(61-6)16-13-29)17-14-31(23-48-22-30-10-8-7-9-11-30)20-34-40(58)41(59)45(62-34)54-25-52-37-42(47)50-24-51-43(37)54/h7-13,15-16,24-25,31,33-34,40-41,45,48,58-59H,14,17-23H2,1-6H3,(H,49,60)(H,53,55)(H2,47,50,51)/t31-,33-,34+,40+,41+,45+/m0/s1
InChIKey
HZHUKQLWLNDVDZ-IBDVCRJISA-N
Chemical Structure
2D Structure
2D structure of (2S,5S)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-(benzylamino)-N-[2-(4-methoxyphenyl)ethyl]-2-[[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]hexanamide
CAS: 2206744-61-6
CID: 146680960
Formula: C46H58N8O8
MW: 851.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight851.0
XLogP33.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Exact Mass850.43776084
Monoisotopic Mass850.43776084
Topological Polar Surface Area233 Ų
Heavy Atom Count62
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-114206SKI-73
334386-01SKI (Ski oncogene, Proto-oncogene c-Ski, SKI)
350510-01SKI, NT (Ski oncogene, Proto-oncogene c-Ski, SKI)
145990Ski (Proto-oncogene c-Ski, Ski Oncogene)
528292-01SKI
MBS1485875-01Recombinant Mouse Ski oncogene (Ski)
A01062-1Anti-Ski oncogene SKI Antibody
MBS953038-01Recombinant Human Ski oncogene (SKI)
abx149579SKI Proto-Oncogene (SKI) Antibody
146912Ski, Control Peptide (Proto-oncogene c-Ski, Ski Oncogene)

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