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1-Methylinosine

CAT: 0804-HY-113139-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113139-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Methylinosine is a modified nucleotide found at position 37 in tRNA 3' to the anticodon of eukaryotic tRNA. 1-Methylinosine is a metabolite and can be derived from inosine. 1-Methylinosine is remarkably higher in urine sample from breast cancer model[1][2].
CAS Number
2140-73-0
Product Name Alternative
N1-Methylinosine
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Endogenous Metabolite; Nucleoside Antimetabolite/Analog
Type
Natural Products
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/1-Methylinosine.html
Purity
99.89
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C(N=CN(C)C3=O)=C3N=C2)O1
Molecular Formula
C11H14N4O5
Molecular Weight
282.25
Precautions
H315, H319, H335
References & Citations
[1]1-Methylinosine-Human Metabolome Database.|[2]Lei Hong, et al., Integration of Magnetic Dispersive Solid-Phase Micro-extraction with HPLC for Precise Detection of Tumor Markers 1-Methyladenosine and 1-Methylinosine in Urine Samples from Breast Cancer Patients. Chromatographia 87, 407–418 (2024) .
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

1-Methylinosine

1-methylinosine is inosine carrying a methyl substituent at position 1 on the hypoxanthine ring. It has a role as a metabolite. It is functionally related to an inosine.

CAS Number2140-73-0
PubChem CID65095
IUPAC Name9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
Molecular FormulaC11H14N4O5
Molecular Weight282.25
XLogP-1.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity433
SMILES
CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKey
WJNGQIYEQLPJMN-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylinosine
CAS: 2140-73-0
CID: 65095
Formula: C11H14N4O5
MW: 282.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.25
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass282.09641956
Monoisotopic Mass282.09641956
Topological Polar Surface Area120 Ų
Heavy Atom Count20
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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