CAS 223387-75-5 FG-2216 (HCID 6914666)

概要

A orally active prolyl-hydroxylase inhibitor which can stabilize hypoxia-inducible transcription factor independent of oxygen availability.

名称と識別子

優先名称: FG-2216
IUPAC: 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
英語名: FG 2216
分子式: C12H9ClN2O4
分子量: 280.66

名称と別名

223387-75-5FG-2216FG 2216RU921DS4Z5(((1-Chloro-4-hydroxyisoquinolin-3-yl)carbonyl)amino)acetic acid1-Chloro-N-(hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamideFG22162-[(1-chloro-4-hydroxyisoquinolin-3-yl)formamido]acetic acid2-((1-chloro-4-hydroxyisoquinolin-3-yl)formamido)acetic acidRefChem:599181FG 2216 (erythropoietic agent)1019198-16-3

名称をさらに表示

BIQIOX-3YM 311CS-1687FG-2216(IOX3FG-2216 ，S7979FG-2216 - YM 311

(1-chloro-4-hydroxyisoquinoline-3-carbonyl)glycineN-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINEN-[(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl]glycineIsoquinoline 34ie6IOX3MFCD231369981-Chloro-N- (hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamide

データベース識別子

CAS: 223387-75-5
PubChem CID: 6914666
ChEMBL: CHEMBL426560
UNII: RU921DS4Z5
EC Number: 803-250-6
Nikkaji: J2.558.549F

物性

構造計算による物性

XLogP: 2.5
極性表面積: 99.5 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: 3
重原子数: 19
形式電荷: 0
複雑度: 366

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

沸点: 670.6 · 670.6±55.0 °C(Predicted)
比重(密度): 1.571 · 1.571±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
溶解性: 2 O; · insoluble in H2O; ≥14.05 mg/mL in DMSO; ≥5.12 mg/mL in EtOH with ultrasonic
外見: 粉
酸解離定数(Pka): 3.2 · 3.20±0.10(Predicted)
色: 白からベージュ
InChI: 1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
InChIKey: OUQVKRKGTAUJQA-UHFFFAOYSA-N
SMILES: OC1=C(C(NCC(O)=O)=O)N=C(Cl)C2=CC=CC=C21

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: WGK 3
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明FG-2216 is an inhibitor of hypoxia-inducible factor prolyl hydroxylase 2 (HIF-PH2; IC50 = 3.9 micromolar). It has been shown to reversibly stimulate erythropoietin secretion at 100 μM in vitro and to increase hematocrit, red blood cell count, and hemoglobin levels at 50 mg/kg in mice.

使用FG 2216 is an erythropoietic agent which is orally active prolyl-hydroxylase inhibitor which increases erythropoietin production in end-stage kidney disease.