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5′-(Methylthio)adenosine

5′-(Methylthio)adenosine structure

CAS No:
2457-80-9
Formula:
C11H15N5O3S
Chemical Name:
5′-(Methylthio)adenosine
Synonyms:
Adenosine,5′-S-methyl-5′-thio-;5′-S-Methyl-5′-thioadenosine;5′-(Methylthio)-5′-deoxyadenosine;5′-(Methylthio)adenosine;β-D-Ribofuranose,1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-;5′-Deoxy-5′-(methylthio)adenosine;5′-S-Methylthioadenosine;Vitamin L2;5′-Deoxy(methylthio)adenosine;NSC 335422;5-Deoxy-5-methylthioadenosine;37311-40-3
Categories:
Cosmetic Ingredient > Skin Conditioning

Description

5'-Methylthioadenosine is produced from S-adenosylmethionine and behaves as a powful inhibitory product.

Solid

5'-S-methyl-5'-thioadenosine is adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. It has a role as a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It derives from an adenosine.

5′-(Methylthio)adenosine Basic Attributes

Molecular Weight：

297.33

Exact Mass：

297.33

UNII：

634Z2VK3UQ

DSSTox ID：

DTXSID20179308

HScode：

2934999090

Characteristics

PSA：

145

XLogP3：

-0.3

Appearance：

Solid

Density：

1.9±0.1 g/cm3

Melting Point：

205 °C

Flash Point：

342.5±34.3 °C

Refractive Index：

1.843

Storage Conditions：

−20°C

Collision Cross Section：

162.5 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|173.03 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|176.54 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|170.34 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|167 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|162.5 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|170.7 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|172.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|166.9 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|168.3 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

AU7410000

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)|Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

5'-deoxy-5'-(methylthio)adenosine

Computed Properties

Molecular Weight:297.34
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:297.08956053
Monoisotopic Mass:297.08956053
Topological Polar Surface Area:145
Heavy Atom Count:20
Complexity:352
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2457-80-9

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Content: 99.9%

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Guide of 5′-(Methylthio)adenosine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
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5′-(Methylthio)adenosine

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