S-Adenosylmethionine, min.95% (NMR)

Name: S-Adenosylmethionine
Brand: Chempure
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CAS Number

29908-03-0

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IUPAC name	(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate
inchi	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
inchi key	MEFKEPWMEQBLKI-AIRLBKTGSA-N
molecular formula	C15H22N6O5S
synonyms	S-adenosyl-L-methionine Ademetionine S-adenosylmethionine 29908-03-0 AdoMet
Compound Description	S-adenosyl-L-methioninate is a sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. It has a role as a human metabolite. It is functionally related to a L-methioninate. It is a conjugate base of a S-adenosyl-L-methionine. Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. S-Adenosylmethionine is a metabolite found in or produced by Escherichia coli . S-adenosylmethionine has been reported in Homo sapiens and Pisum sativum with data available. S-Adenosylmethionine is a nutritional supplement that is synthesized from adenosine triphosphate and the amino acid methionine by the endogenous essential enzyme methionine adenosyltransferase , with potential antineoplastic activity. Upon administration, S-adenosylmethionine acts as a methyl donor for various transmethylation reactions. In cancer cells, this agent induces the methylation of tumor promoting genes, reverses DNA hypomethylation, and leads to the suppression of oncogene transcription. This induces apoptosis in and inhibits proliferation of susceptible tumor cells. Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. See also: S-Adenosyl-L-methionine Disulfate Tosylate ; S-Adenosylmethionine chloride .

Computed Properties

Molecular Weight:	398.4 g/mol
XLogP3:	-2.8
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	6
Exact Mass:	398.13723900 Da
Monoisotopic Mass:	398.13723900 Da
Topological Polar Surface Area:	187 Å²
Heavy Atom Count:	27
Formal Charge:	0
Complexity:	527
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	5
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501
hazard statements	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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IUPAC name	(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate
inchi	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
inchi key	MEFKEPWMEQBLKI-AIRLBKTGSA-N
molecular formula	C15H22N6O5S
synonyms	S-adenosyl-L-methionine Ademetionine S-adenosylmethionine 29908-03-0 AdoMet
Compound Description	S-adenosyl-L-methioninate is a sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. It has a role as a human metabolite. It is functionally related to a L-methioninate. It is a conjugate base of a S-adenosyl-L-methionine. Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. S-Adenosylmethionine is a metabolite found in or produced by Escherichia coli . S-adenosylmethionine has been reported in Homo sapiens and Pisum sativum with data available. S-Adenosylmethionine is a nutritional supplement that is synthesized from adenosine triphosphate and the amino acid methionine by the endogenous essential enzyme methionine adenosyltransferase , with potential antineoplastic activity. Upon administration, S-adenosylmethionine acts as a methyl donor for various transmethylation reactions. In cancer cells, this agent induces the methylation of tumor promoting genes, reverses DNA hypomethylation, and leads to the suppression of oncogene transcription. This induces apoptosis in and inhibits proliferation of susceptible tumor cells. Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. See also: S-Adenosyl-L-methionine Disulfate Tosylate ; S-Adenosylmethionine chloride .

Computed Properties

Molecular Weight:	398.4 g/mol
XLogP3:	-2.8
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	6
Exact Mass:	398.13723900 Da
Monoisotopic Mass:	398.13723900 Da
Topological Polar Surface Area:	187 Å²
Heavy Atom Count:	27
Formal Charge:	0
Complexity:	527
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	5
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501
hazard statements	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Product No: DT7908

S-Adenosylmethionine, min.95% (NMR)

Product No: DT7908

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CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

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Product No: DT7908

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?