Basic information
- CAS
2457-80-9- Standard SMILES
CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O- InChIKey
WUUGFSXJNOTRMR-UHFFFAOYSA-N- Molecular formula
- C11H15N5O3S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.08956053
Overview
Beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio- is a nucleobase-containing molecular entity.
Names & identifiers
- Preferred name
- 9-(5-S-Methyl-5-thiopentofuranosyl)-9H-purin-6-amine
- IUPAC
- 2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
- English name
- 5'-Deoxy-5'-methylthioadenosine
- Molecular formula
- C11H15N5O3S
- Molecular weight
- 297.33
Names & synonyms
9-(5-s-methyl-5-thiopentofuranosyl)-9h-purin-6-amineDTXSID70862955RefChem:1074910DTXCID702186752-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol2457-81-0beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-53458-29-05'-CH3S-xyloAC11H15N5O3S(+/-)-p-ethoxybenzoin.beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-
Show more names
MTAMethylthioadenosine5'-S-Methyl-5'-thioadenosine5'-MethylthioadenosineAdenylthiomethylpentose(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-((methylthio)methyl)tetrahydrofuran-3,4-diolMESADO5’-methylthioadenosineAdenosyl Methionine Impurity 1
Adenosine + C2H5SSCHEMBL890628orb3172696SCHEMBL29439558CHEBI:1809635\'-S-methyl-5\'-thioadenosine9-(5'-Deoxy-5'-(methylthio)-beta-D-xylofuranosyl)-adenineNSC166536
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 210 · 210-213 °C (dec.)
- Boiling point
- 642.7 · 642.7±65.0 °C(Predicted)
- Density
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- DMF (Sparingly), DMSO (Slightly), Methanol (Slightly)
- form
- White solid
- pka
- 13.1 · 13.10±0.70(Predicted)
- color
- White to Off-White
- biological source
- synthetic (organic)
- BRN
- 42420 · 42420
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChI
- InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
- InChIKey
- WUUGFSXJNOTRMR-IOSLPCCCSA-N
- SMILES
- S(C)C[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H](O)[C@@H]1O
- EWG's Food Scores
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- wgk
- 3
- rtecs
- AU7410000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses5′-Deoxy-5′-(methylthio)adenosine has been used as a protein methylation inhibitor to reduce E2F transcription factor 1 (E2F1) protein abundance in hepatocellular carcinoma (HCC) cells. It has also been used to inhibit histone methylation modification and study its role in hypoxia inducible factor-1 (Hif-1) nuclear transport.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州品高化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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