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Allylic-SAM

CAT: 0804-HY-148904-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148904-01Size:1 mg
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Description
Allylic-SAM is an S-adenosyl methionine (SAM) analog for the enrichment and detection of methyltransferase target sites in RNA.
CAS Number
875155-64-9
UNSPSC
12352005
Target
Amine N-methyltransferase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/allylic-sam.html
Purity
94.99
Solubility
10 mM in DMSO
Smiles
NC1=C2C(N([C@@H]3O[C@H](C[S+](CC[C@H](N)C([O-])=O)CC=C)[C@@H](O)[C@H]3O)C=N2)=NC=N1
Molecular Formula
C17H24N6O5S
Molecular Weight
424.47
References & Citations
[1]Hartstock K, et al. Enzymatic or In Vivo Installation of Propargyl Groups in Combination with Click Chemistry for the Enrichment and Detection of Methyltransferase Target Sites in RNA.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Allylic-SAM
CAS Number875155-64-9
PubChem CID168679798
IUPAC Name(2S)-2-amino-4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-prop-2-enylsulfonio]butanoate
Molecular FormulaC17H24N6O5S
Molecular Weight424.5
XLogP-2.2
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity583
SMILES
C=CC[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C17H24N6O5S/c1-2-4-29(5-3-9(18)17(26)27)6-10-12(24)13(25)16(28-10)23-8-22-11-14(19)20-7-21-15(11)23/h2,7-10,12-13,16,24-25H,1,3-6,18H2,(H2-,19,20,21,26,27)/t9-,10+,12?,13-,16+,29?/m0/s1
InChIKey
GFGYWGPRDTVIHL-HJDMPBIMSA-N
Chemical Structure
2D Structure
2D structure of Allylic-SAM
CAS: 875155-64-9
CID: 168679798
Formula: C17H24N6O5S
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass424.15288906
Monoisotopic Mass424.15288906
Topological Polar Surface Area186 Ų
Heavy Atom Count29
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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