ChemicalBook--->CAS DataBase List--->332-80-9

332-80-9

332-80-9 Structure

332-80-9 Structure
IdentificationMore
[Name]

1-Methyl-L-histidine
[CAS]

332-80-9
[Synonyms]

1-METHYLHISTIDINE
1-METHYL-L-HISTIDINE
3-(1-METHYLIMIDAZOL-4-YL)-L-ALANINE
3-(1-METHYLIMIDAZOL-5-YL)-L-ALANINE
3-METHYL-L-HISTIDINE
H-HIS(1-ME)-OH
H-HIS(3-ME)-OH
H-HIS(PI-ME)-OH
H-HIS(TAU-ME)-OH
HISTIDINE(3-ME)-OH
H-N-P-METHYL-L-HISTIDINE
L-1-METHYLHISTIDINE
L-3-METHYLHISTIDINE
METHYLHISTIDINE, L-1-
METHYLHISTIDINE, L-3-
NH-METHYL-HIS-OH
N-(IMIDAZOLE-1-METHYL)-L-HISTIDINE
N-PI-METHYL-L-HISTIDINE
N-TAU-METHYL-L-HISTIDINE
PI-METHYL-L-HISTIDINE
[EINECS(EC#)]

206-368-0
[Molecular Formula]

C7H11N3O2
[MDL Number]

MFCD00005295
[Molecular Weight]

169.18
[MOL File]

332-80-9.mol
Chemical PropertiesBack Directory
[Melting point ]

~240 °C (dec.) (lit.)
[alpha ]

-24 º (c=2% in H2O)
[Boiling point ]

298.47°C (rough estimate)
[density ]

1.2509 (rough estimate)
[refractive index ]

1.5950 (estimate)
[storage temp. ]

2-8°C(protect from light)
[solubility ]

Methanol (Slightly), Water (Slightly, Sonicated)
[form ]

Solid
[pka]

1.69(at 25℃)
[color ]

Off-White to Pale Beige
[Optical Rotation]

[α]20/D 24±1°, c = 2% in H2O
[BRN ]

9727
[Stability:]

Hygroscopic
[Major Application]

peptide synthesis
[InChI]

1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
[InChIKey]

BRMWTNUJHUMWMS-LURJTMIESA-N
[SMILES]

Cn1cnc(C[C@H](N)C(O)=O)c1
[CAS DataBase Reference]

332-80-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
[WGK Germany ]

3
[HS Code ]

29332900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Beige powder
[Uses]

The urinary 1- and 3-methylhistidine (1- and 3-MH) metabolites as potential biomarkers of skeletal muscle toxicity. These metabolites were highly correlated to sex-, dose-, and time-dependent developm ent of cerivastatin-induced myotoxicity. Natural but non-proteinogenic amino acid; employed as index of muscle protein breakdown.
[Uses]

The urinary 1- and 3-methylhistidine (1- and 3-MH) metabolites as potential biomarkers of skeletal muscle toxicity. These metabolites were highly correlated to sex-, dose-, and time-dependent development of cerivastatin-induced myotoxicity. Natural but non-proteinogenic amino acid; employed as index of muscle protein breakdown.
[Definition]

ChEBI: N(tele)-methyl-L-histidine is a L-histidine derivative in which the methyl group is at N(tele)-position. It has a role as a human metabolite. It is a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a N(tele)-methyl-L-histidine zwitterion.
[reaction suitability]

reaction type: solution phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methyl-L-histidine(332-80-9)1HNMR
1-Methyl-L-histidine(332-80-9)13CNMR
1-Methyl-L-histidine(332-80-9)IR1
1-Methyl-L-histidine(332-80-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

332-80-9(sigmaaldrich)
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