(1-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphonic acid

HCID 2106CAS 148796-53-6

基本情報

標準SMILES: CC(C)=CCCC(C)=CCCC(C)=CC(O)P(=O)(O)O
InChIKey: MONZTFSZTWQCKH-UHFFFAOYSA-N
分子式: C15H27O4P
平均分子量: 302.35 g/mol
単同位体質量: 302.16469597

名称と識別子

優先名称: (1-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphonic acid
IUPAC: (1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)phosphonic acid
英語名: alpha-Hydroxyfarnesylphosphonic acid
分子式: C15H27O4P
分子量: 302.35

名称と別名

26744-04-7SCHEMBL536525?-Hydroxyfarnesylphosphonic acidDTXSID50274355QFA63312(1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphonic acidICX5609136DB-042951[(1S,2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acidHFPAα-hydroxy Farnesyl Phosphonic AcidHYDROXYFARNESYL PHOSPHATE

名称をさらに表示

MONZTFSZTWQCKH-IJFRVEDASA-NA-hydroxyfarnesylphosphonic acidalpha-Hydroxyfarnesylphosphonic acidalpha-Hydroxyfarnesylphosphonic aicdALPHA-HYDROXYFARNESYL PHOSPHONIC ACID ETHANOL SOLUTIONαhydroxy Farnesyl Phosphonic Acid,α hydroxy Farnesyl Phosphonic Acid(+/-)-1-HYDROXY-3,7,11-TRIMETHYL-2E,6E,10-DODECATRIENE-1-PHOSPHONIC ACID

データベース識別子

CAS: 148796-53-6
PubChem CID: 2106
DTXSID: DTXSID50274355

物性

構造計算による物性

XLogP: 3.1
極性表面積: 77.8 Å²
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: 8
重原子数: 20
形式電荷: 0
複雑度: 425

物理化学的性質

貯蔵温度: 20 °C · −20°C
溶解性: 10 mM · 10 mM Na2CO3: freely soluble; ETOH: >25 mg/ml; PBS pH 7.2: <25 μg/ml
外見: A crystalline solid

安全と法規制

安全データ

wgk: 3
ridadr: UN 1170 3/PG 2
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36-7

化学と産業

応用分野 · 1 件

説明α-hydroxy Farnesyl phosphonic acid is a nonhydrolyzable analog of farnesyl pyrophosphate which acts as a competitive inhibitor of farnesyl transferase (FTase). At concentrations greater than 1 μM, α-hydroxy farnesyl phosphonic acid inhibits the processing of Ras in Ha-ras-transformed NIH3T3 cells.

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