β-(メチルアミノ)-L-アラニン

beta-(N-Methylamino)-L-alanine

HCID 105089CAS 15920-93-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CNC[C@H](N)C(=O)O
InChIKey: UJVHVMNGOZXSOZ-VKHMYHEASA-N
分子式: C4H10N2O2
平均分子量: 118.13 g/mol
単同位体質量: 118.07422757

名称と識別子

優先名称: beta-(N-Methylamino)-L-alanine
IUPAC: (2S)-2-amino-3-(methylamino)propanoic acid
現地名: β-(メチルアミノ)-L-アラニン
英語名: 3-(N-Methylamino)-L-alanine
分子式: C4H10N2O2
分子量: 118.13

名称と別名

15920-93-1(S)-2-AMINO-3-(METHYLAMINO)PROPANOIC ACIDBMAAbeta-N-Methylamino-L-alanine(2S)-2-amino-3-(methylamino)propanoic acidL-Alanine, 3-(methylamino)-3-Methylamino-L-alanine108SA6URTVL-alpha-Amino-beta-(methylamino)propionic acidbeta-(N-Methylamino)-L-alanineBeta-Methylamino-L-alanineDTXSID60166611

名称をさらに表示

β-(メチルアミノ)-L-アラニン(S)-2-アミノ-3-(メチルアミノ)プロパン酸β-メチルアミノ-L-アラニン(S)-2-アミノ-3-(メチルアミノ)プロピオン酸3-(メチルアミノ)-L-アラニン3-メチルアミノ-L-アラニン(2S)-2-アミノ-3-(メチルアミノ)プロパン酸β-N-Methylamino-L-alanine(S)-BMAA-Methylamino-L-alanineB-METHYLAMINO-L-ALANINEβ-Methylamino-L-alanine--Methylamino-L-alanine

2-Amino-3(methylamino)propionic acidRefChem:917034DTXCID9089102(2S)-2-azaniumyl-3-(methylamino)propanoateL-Bmaa3-(Methylamino)-L-alanine3-(N-METHYLAMINO)-L-ALANINEMFCD08063270

データベース識別子

CAS: 15920-93-1
PubChem CID: 105089
DTXSID: DTXSID60166611
ChEMBL: CHEMBL11488
ChEBI: CHEBI:73169
UNII: 108SA6URTV
Nikkaji: J82.463A

物性

構造計算による物性

XLogP: -3.8
極性表面積: 75.4 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 84

物理化学的性質

沸点: 284.2 · 284.2±30.0 °C(Predicted)
比重(密度): 1.157 · 1.157±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: 2 O: · H2O: 溶液は 4℃で数日間保存できます。
外見: 個体
酸解離定数(Pka): 1.88 · 1.88±0.10(Predicted)
色: 白い
EPAの化学物質情報: 3 · L-Alanine, 3-(methylamino)- (15920-93-1)

安全と法規制

毒性情報

Health Effects · 1 件

BMAA is considered a possible cause of the amyotrophic lateral sclerosis/parkinsonism-dementia complex (ALS/PDC). Its neurotoxic effects may include degenerative locomotor diseases resulting from damage to cells (such as neurons) in the motor cortex and spinal cord. (L1241)

Exposure RoutesOral (ingestion) (L1817) ; dermal (L1817)

Toxicity SummaryBMAA may cause neurotoxic effects by damaging cells (such as neurons) in the motor cortex and spinal cord. (L1241)

Signs and SymptomsSymptoms of BMAA exposure may include limb muscle atrophy and behavioral dysfunction. (L1241)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk: 3
hs_code: 2922498590
safety_code: 22-24/25
hazard_class: IRRITANT

化学と産業

薬理情報

MeSH Pharmacological ClassificationDrugs that bind to and activate excitatory amino acid receptors.

用途と製造

UsesMethylamino-L-alanine, beta- is a plant toxin found in the seeds of the cycad (division Cycadophyta). (L1241)

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補足説明 · 1 件

定義ChEBI: A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a methylamino group. A non-proteinogenic amino acid produced by cyanobacteria, it is a neurotoxi that has been postulated as a possible cause of neurodegenerative disorders of aging such as Alzheimer's disease, amyotrophic lateral sclerosis, and the amyotrophic lateral sclerosis/parkinsonism-dementia complex (ALS-PDC) syndrome of Guam.