Glufosinate (HCID 4794)

概要

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid is a non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group. It is a member of phosphinic acids and a non-proteinogenic alpha-amino acid.

名称と識別子

優先名称: Glufosinate
IUPAC: 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
現地名: (2S)-2-アミノ-4-メチルホスホニルブタン酸
英語名: Glufosinate-P
分子式: C5H12NO4P
分子量: 181.13

名称と別名

GLUFOSINATE51276-47-2DL-Phosphinothricin3-Amino-3-carboxypropylmethylphosphinic acidDL-2-Amino-4-(methylphosphino)butanoic acid(+-)-PhosphinothricinC8W4FP6BTYButanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-HOE-35956DTXSID0043973HOE 359562-Amino-4-(hydroxymethylphosphinyl)butanoic acid

名称をさらに表示

(2S)-2-アミノ-4-[ヒドロキシ(メチル)ホスフィニル]ブタン酸(S)-2-アミノ-4-(メチルホスホニル)ブタン酸(S)-4-[ヒドロキシ(メチル)ホスフィニル]-2-アミノ酪酸L-ホスフィノトリシンL-グルホシナートL-グルホシネートホスフィノトリシン(S)-ホスフィノトリシン(2S)-2-アミノ-4-メチルホスホニルブタン酸グルホシネートP(2S)-2-アミノ-4-(メチルホスホニル)ブタン酸(2S)-2-アミノ-4-[ヒドロキシ(メチル)ホスホリル]ブタン酸L-GlufosinateL-Glufosinate ammoniumL-PhosphinothricinGlufosinate Impurity 5L-GlufositeGlufosinate-PPhosphinothricine(S)-Phosphinothricin(S)-2-Amino-4-(hydroxymethylphosphinyl)butyric acid(S)-4-[Hydroxy(methyl)phosphinyl]-2-aminobutyric acid

(2RS)-2-AMINO-4-(HYDROXY(METHYL)PHOSPHINOYL)BUTYRIC ACID(3-azaniumyl-3-carboxypropyl)-methylphosphinate2-azaniumyl-4-(hydroxy(methyl)phosphoryl)butanoate4-(Hydroxy(methyl)phosphinoyl)-DL-homoalanineRefChem:663162DTXCID8023973CHEBI:52136257-102-5

データベース識別子

CAS: 35597-44-5、51276-47-2
PubChem CID: 4794
DTXSID: DTXSID0043973
ChEMBL: CHEMBL450298
ChEBI: CHEBI:142851
UNII: C8W4FP6BTY
EC Number: 257-102-5
Nikkaji: J8.581B

物性

構造計算による物性

XLogP: -5
極性表面積: 101 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 193

実験および物理化学的性質

Pesticides · 5 件

Herbicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Herbicides

Pesticide

Collision Cross Section · 2 件

142.7 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

139.3 Å² [M+H]+

物理化学的性質

融点: 209 · 209-210 °C
沸点: 519.1 · 519.1±45.0 °C(Predicted)
比旋光度: 25 · D25 +13.4° (c = 1 in water)
比重(密度): 1.378 · 1.378±0.06 g/cm3(Predicted)
酸解離定数(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

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302+H312+H332 (61.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

危険有害性情報

Regulatory Information · 2 件

Chemical: Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-

07/25/EC, Reg (EU) 2015/408, Reg. (EU) 2015/404, Reg. (EU) 2022/801, Reg. (EU) No 365/2013, Reg. (EU) No 540/2011

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories · 3 件

Acute Tox. 4 (95.7%)

Acute toxicity (Oral) - Category 4

Reproductive toxicity - Category 1B

毒性情報

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).

USGS Health-Based Screening Levels for Evaluating Water-Quality · 6 件

Glufosinate

62721

Pesticide

30

Data are for glufosinate-ammonium CASRN 77182822

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.

用途と製造

Use Classification · 2 件

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Herbicides

上流・下流製品情報

上流原料

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

サプライヤー25 社

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]

(2S)-2-アミノ-4-メチルホスホニルブタン酸

基本情報

概要

名称と識別子

名称と別名

データベース識別子

物性

構造計算による物性

実験および物理化学的性質

物理化学的性質

安全と法規制

GHS分類

危険有害性情報

毒性情報

安全データ

化学と産業

薬理情報

用途と製造

上流・下流製品情報

上流原料

サプライヤー25 社

関連反応

関連ノート