基本情報
- CAS
20263-06-3- 標準SMILES
NC(CP(=O)(O)O)C(=O)O- InChIKey
LBTABPSJONFLPO-UHFFFAOYSA-N- 分子式
- C3H8NO5P
- 平均分子量
- 169.07 g/mol
- 単同位体質量
- 169.01400899
概要
2-amino-3-phosphonopropanoic acid is a non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-5-phosphanyl group. It has a role as a metabotropic glutamate receptor antagonist and a human metabolite. It is an alanine derivative, a member of phosphonic acids and a non-proteinogenic alpha-amino acid.
名称と識別子
- 優先名称
- 2-Amino-3-phosphonopropionic acid
- IUPAC
- 2-amino-3-phosphonopropanoic acid
- 現地名
- 2-アミノ-3-ホスホノプロピオン酸
- 英語名
- (+-)-2-Amino-3-phosphonopropionic acid ( AP-3)NMDA antagonist
- 分子式
- C3H8NO5P
- 分子量
- 169.07
名称と別名
5652-28-82-amino-3-phosphonopropanoic acid2-Amino-3-phosphonopropionic acid3-phosphonoalaninePhosphonoalanine2-Amino-3-phosprop2-Amino-3-phosphopropionic acid2-Amino-3-phosphono-propionic acid2-AP3NSC-300780H89G8110OCHEBI:28388
名称をさらに表示
3-ホスホノ-2-アミノプロパン酸2-アミノ-3-ホスホノプロピオン酸2-アミノ-3-ホスホノプロパン酸(+-)-2-Amino-3-phosphonopropionic acid ( AP-3)NMDA antagonist
DTXSID40863590RefChem:463956DTXCID80812183DL-AP320263-06-3DL-2-Amino-3-phosphonopropionic acidAlanine, 3-phosphono-2-Amino-3-phosphonopropionate
データベース識別子
- CAS
20263-06-3、23052-80-4、5652-28-8- PubChem CID
- 3857
- DTXSID
DTXSID40863590- ChEMBL
CHEMBL88621- ChEBI
CHEBI:28388- UNII
- 0H89G8110O
物性
構造計算による物性
- XLogP
- -5.2
- 極性表面積
- 121 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 174
実験および物理化学的性質
Physical DescriptionSolid
物理化学的性質
- 沸点
- 481.6 · 481.6±55.0 °C(Predicted)
- 比重(密度)
- 1.763 · 1.763±0.06 g/cm3(Predicted)
- 溶解性
- PBS (pH 7.2): 2 mg/ml
- 外見
- 白い粉。
- 酸解離定数(Pka)
- 1.22 · 1.22±0.10(Predicted)
- 色
- White to off-white
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- hs_code
- 2931499090
化学と産業
薬理情報
MeSH Pharmacological ClassificationDrugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Tissue LocationsEpidermis
応用分野
説明Metabotropic glutamate receptors (mGluR1-8) are G protein-coupled receptors that function to modulate brain excitatory signaling via presynaptic, postsynaptic, and glial mechanisms. DL-AP3 is a competitive mGluR1 antagonist that demonstrates a Ki value of 298 μM and an IC50 value of 1mM for rat mGluR1α when challenged with glutamate. DL-AP3 can antagonize excitatory amino acid-induced phosphoinositide hydrolysis, induce Ca2+ mobilization in rat hippocampal slices, and inhibit phosphoserine phosphatase in rat brain cortex. At concentrations from 10-300 μM DL-AP3 has been used to characterize the role of mGluR in long-term potentiation in the hippocampus in a model of learning and memory, the release of glutamate in Parkinson’s disease, and the increased activity of mGluR implicated in fragile X syndrome.
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