부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-

Phosphinothricin

HCID 91619CAS 35597-44-5

기본 정보

표준 SMILES: CP(=O)(O)CC[C@H](N)C(=O)O
InChIKey: IAJOBQBIJHVGMQ-BYPYZUCNSA-N
분자식: C5H12NO4P
평균 분자량: 181.13 g/mol
단동위원소 질량: 181.05039449

개요

Glufosinate-P is a 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid that has S configuration at position 2. A glutamine synthetase inhibitor, it is used (generally as the corresponding ammonium or sodium salts, known as glufosinate-P-ammonium and glufosinate-P-sodium, respectively) as a herbicide to control annual weeds and grasses. It has a role as an EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor, a herbicide and an agrochemical. It is an enantiomer of a (2R)-glufosinate. It is a tautomer of a glufosinate-P zwitterion.

이름 및 식별자

우선 이름: Phosphinothricin
IUPAC: (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
현지명: 부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-
영어명: Glufosinate-P
분자식: C5H12NO4P
분자량: 181.13

이름 및 동의어

phosphinothricin35597-44-5RefChem:6631642-amino-4-methylphosphinobutyric acidGlufosinate-PL-GlufosinateL-PHOSPHINOTHRICIN(S)-Phosphinothricin(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acidButanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, (2S)-CHEMBL145114(S)-Glufosinate

이름 더 보기

부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-L-Glufosinate ammoniumGlufosinate Impurity 5L-GlufositePhosphinothricine(S)-2-Amino-4-(hydroxymethylphosphinyl)butyric acid(S)-4-[Hydroxy(methyl)phosphinyl]-2-aminobutyric acid

DTXSID401020544(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoic acid(2S)-2-Amino-4-(hydroxy(methyl)phosphoryl)butanoic acidGlufosinate-P [ISO](2S)-2-amino-4-(hydroxy(methyl)phosphinoyl)butyric acidCHEMBL53515315766-01-5(2S)-2-azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate

데이터베이스 식별자

CAS: 35597-44-5、51276-47-2
PubChem CID: 91619
DTXSID: DTXSID401020544
ChEMBL: CHEMBL145114、CHEMBL535153
ChEBI: CHEBI:142852
UNII: 72P470U27C
EC Number: 690-077-2
Nikkaji: J391.973K

물성

구조 계산 물성

XLogP: -5
극성 표면적: 101 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 209 · 209-210 °C
끓는 점: 519.1 · 519.1±45.0 °C(Predicted)
밀도: 1.378 · 1.378±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.22 · 2.22±0.10(Predicted)
InChI: InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey: IAJOBQBIJHVGMQ-BYPYZUCNSA-N
SMILES: C(CP(O)(=O)C)[C@H](N)C(=O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P316, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationButanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, (2S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Health EffectsSeizures; muscle weakness (post-status epileptic myopathy); convulsions; and even death. (T10)

Toxicity SummaryGlufosinate irreversibly inhibits the enzyme glutamine synthetase, which decreases ammonia detoxification. Increased ammonia levels lead to impairment of photorespiration and photosynthesis in plants. (T10)

Signs and SymptomsNausea, vomiting, and diarrhea that is followed in 24h by impaired respiration. (T10)

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

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.

상·하류 제품 정보

상류 원료

Butanoic acid, 2-amino-4-(ethoxymethylphosphinyl)-, (2S)- (9CI)L-glufosinate hydrochloride

공급사25 곳

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

天津普西唐生物医药科技有限公司010-60605840 · [email protected]

연결된 노트

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