beta-(N-Methylamino)-L-alanine

HCID 105089CAS 15920-93-1

기본 정보

표준 SMILES: CNC[C@H](N)C(=O)O
InChIKey: UJVHVMNGOZXSOZ-VKHMYHEASA-N
분자식: C4H10N2O2
평균 분자량: 118.13 g/mol
단동위원소 질량: 118.07422757

이름 및 식별자

우선 이름: beta-(N-Methylamino)-L-alanine
IUPAC: (2S)-2-amino-3-(methylamino)propanoic acid
영어명: 3-(N-Methylamino)-L-alanine
분자식: C4H10N2O2
분자량: 118.13

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -3.8
극성 표면적: 75.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 84

물리화학적 성질

끓는 점: 284.2 · 284.2±30.0 °C(Predicted)
밀도: 1.157 · 1.157±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 2 O: · H2O: 용액은 4°Csoluble에서 며칠 동안 보관할 수 있습니다.
물리적 상태: 고체
산도 계수 (pKa): 1.88 · 1.88±0.10(Predicted)
색상: 하얀색
EPA: 3 · L-Alanine, 3-(methylamino)- (15920-93-1)

안전 및 규제

독성 정보

Health Effects · 1건

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).

안전 데이터

wgk: 3
HS 번호: 2922498590
safety_code: 22-24/25
위험 등급: IRRITANT

화학 및 산업

약리 정보

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

용도 및 제조

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

공급사50 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

추가 설명 · 1건

정의ChEBI: 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.

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