P-((Acetylamino)methyl)phosphonic acid

HCID 3017080
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基本情報

CAS
57637-97-5
標準SMILES
CC(=O)NCP(=O)(O)O
InChIKey
FDNUAHPLMXZWLS-UHFFFAOYSA-N
分子式
C3H8NO4P
平均分子量
153.07 g/mol
単同位体質量
153.01909437

概要

(acetamidomethyl)phosphonic acid is a member of the class of acetamides obtained by formal condensation of acetic acid with the amino group of (aminomethyl)phosphonic acid. It is a member of acetamides and a member of phosphonic acids. It is functionally related to an (aminomethyl)phosphonic acid. It is a conjugate acid of an (acetamidomethyl)phosphonate(1-).

名称と識別子

優先名称
P-((Acetylamino)methyl)phosphonic acid
IUPAC
acetamidomethylphosphonic acid
英語名
N-Acetylaminomethylphosphonate
分子式
C3H8NO4P
分子量
153.07

名称と別名

57637-97-5((Acetylamino)methyl)phosphonic acidn-acetylaminomethylphosphonic acidF5QHK899XYPhosphonic acid, ((acetylamino)methyl)-DTXSID8074736[(acetylamino)methyl]phosphonic acidP-((Acetylamino)methyl)phosphonic acidP-[(Acetylamino)methyl]phosphonic acidRefChem:1094130DTXCID5042247acetamidomethylphosphonic acid
名称をさらに表示
N-Acetyl AMPAAlendronic Acid Impurity 10N-Acetylaminomethylphosphoric Acid (>N-Acetylaminomethylphosphoric Acid (>90%)C10205150 AminomethyLphosphoniCacid N-acetyAminomethyl phosphonic acid N-acetyl 100 μg/mL in Acetonitrile:Water
N-Acetylaminomethylphosphoric Acid(acetamidomethyl)phosphonic acidN-ACETYLAMINOMETHYLPHOSPHONATEacetylaminomethanephosphonic acidAminomethyl phosphonic acid N-acetylPhosphonic acid, P-[(acetylamino)methyl]-N-Acetylaminomethylphosphoric Acid (>90%)PHOSPHONIC ACID, P-((ACETYLAMINO)METHYL)-

データベース識別子

CAS
57637-97-5
PubChem CID
3017080
DTXSID
DTXSID8074736
ChEBI
CHEBI:136674
UNII
F5QHK899XY

物性

構造計算による物性

XLogP
-2.2
極性表面積
86.6 Ų
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
2
重原子数
9

物理化学的性質

融点
185 °C · 185 °C(Solv: methanol (67-56-1))
比重(密度)
1.483 · 1.483±0.06 g/cm3(Predicted)
貯蔵温度
Refrigerator, Under Inert Atmosphere
溶解性
メタノール（微量、加温）、水（微量）
外見
個体
酸解離定数(Pka)
2.25 · 2.25±0.10(Predicted)

化学と産業

応用分野 · 2 件

説明N-Acetylaminomethylphosphoric Acid is a phosphonic acid that is mainly used in the field of biochemistry laboratory research. In particular, studies related to biochemistry, immunology and cell biology are often an important part of investigating the effects of phosphorylation on proteins and cellular processes. N-Acetylaminomethylphosphoric Acid is an inhibitor of protein phosphorylation that binds to the active site of a protein kinase, thereby hindering the enzyme's ability to phosphorylate its substrate.

使用N-Acetylaminomethylphosphoric Acid is been found to show inhibitory properties towards ureases.

上流・下流製品情報

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