イブロリピム

Ibrolipim

HCID 131601

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 133208-93-2
標準SMILES: CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1)OCC
InChIKey: KPRTURMJVWXURQ-UHFFFAOYSA-N
分子式: C19H20BrN2O4P
平均分子量: 451.2 g/mol
単同位体質量: 450.03440585

概要

Ibrolipim is a small molecule drug. Ibrolipim has a monoisotopic molecular weight of 450.03 Da.

名称と識別子

優先名称: Ibrolipim
IUPAC: N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
現地名: イブロリピム
英語名: NO-1886
分子式: C19H20BrN2O4P
分子量: 451.25

名称と別名

Ibrolipim133208-93-2NO-18864-Diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamideOPF-009OPF009DTXSID20157989Phosphonic acid, ((4-(((4-bromo-2-cyanophenyl)amino)carbonyl)phenyl)methyl)-, diethyl esterPhosphonic acid, [[4-[[(4-bromo-2-cyanophenyl)amino]carbonyl]phenyl]methyl]-, diethyl ester07H1561618Diethyl [[4-[[(4-bromo-2-cyanophenyl)amino]carbonyl]phenyl]methyl]phosphonateibrolipimum

名称をさらに表示

イブロリピムジエチル ({4-[(4-ブロモ-2-シアノフェニル)カルバモイル]フェニル}メチル)ホスホナート[4-[[(4-ブロモ-2-シアノフェニル)アミノ]カルボニル]ベンジル]ホスホン酸ジエチルNO-1886 IbrolipimIbrolipim NO-1886Ibrolipim, 10 mM in DMSODiethyl 4-[(4-bromo-2-cyanophenyl)carbamoyl]benzylphosphonate

Diethyl ((4-(((4-bromo-2-cyanophenyl)amino)carbonyl)phenyl)methyl)phosphonateRefChem:789641DTXCID2080480Lipoprotein Lipase ActivatorOPF 009Diethyl (4-((4-bromo-2-cyanophenyl)carbamoyl)benzyl)phosphonateDiethyl 4-((4-bromo-2-cyanophenyl)carbamoyl)benzylphosphonateN-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide

データベース識別子

CAS: 133208-93-2
PubChem CID: 131601
DTXSID: DTXSID20157989
ChEMBL: CHEMBL34234
UNII: 07H1561618
EC Number: 634-329-1
Nikkaji: J692.960E

物性

構造計算による物性

XLogP: 3.5
極性表面積: 88.4 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 27
形式電荷: 0
複雑度: 576

実験および物理化学的性質

LogP3.21

物理化学的性質

融点: 160.5 · 160.5-162.1 °C
沸点: 512.5 · 512.5±50.0 °C(Predicted)
比重(密度): 1.44 · 1.44±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: 20 mg/mL以上 · DMSO：20mg/mL以上
外見: 粉
酸解離定数(Pka): 11.51 · 11.51±0.70(Predicted)
色: オフホワイトからペールイエロー
InChI: 1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)
InChIKey: KPRTURMJVWXURQ-UHFFFAOYSA-N
SMILES: CCOP(=O)(Cc1ccc(cc1)C(=O)Nc2ccc(Br)cc2C#N)OCC

安全と法規制

GHS分類

GHS Classification · 4 件

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

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36-45
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

薬理情報

Metabolism/MetabolitesIbrolipim has known human metabolites that include [4-[(4-Bromo-2-cyanophenyl)carbamoyl]phenyl]methyl-ethoxyphosphinic acid.

MeSH Pharmacological Classification · 2 件

Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.

Compounds that increase the enzymatic activity of LIPOPROTEIN LIPASE. Lipoprotein lipase activators have a potential role in the treatment of OBESITY by increasing LIPID METABOLISM. Note that substances that increase the synthesis of lipoprotein lipase are not included here.

応用分野

使用Antiatherogenic; antiobesity; antidyslipidemia; anticachexia; and antidiabetes/syndrome.

サプライヤー30 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]

河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]

化合物ノート

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