6-クロロ-5-[4-(1-ヒドロキシシクロブチル)フェニル]-1H-インドール-3-カルボン酸

PF-06409577

HCID 71748255
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基本情報

CAS
1467057-23-3
標準SMILES
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12
InChIKey
FHQXLWCFSUSXBF-UHFFFAOYSA-N
分子式
C19H16ClNO3
平均分子量
341.8 g/mol
単同位体質量
341.08187105

概要

PF-06409577 is a chloroindole that is 6-chloro-1H-indole substituted by carboxy and 4-(1-hydroxycyclobutyl)phenyl groups at positions 3 and 5, respectively. It is a potent and selective allosteric activator of AMPK and a potential treatment for diabetic nephropathy. It has a role as an antiatherosclerotic agent, an antineoplastic agent, a nephroprotective agent and an EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator. It is a member of cyclobutanes, a member of benzenes, a tertiary alcohol, an indolecarboxylic acid and a chloroindole.

名称と識別子

優先名称
PF-06409577
IUPAC
6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
現地名
6-クロロ-5-[4-(1-ヒドロキシシクロブチル)フェニル]-1H-インドール-3-カルボン酸
英語名
6-chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylicacid
分子式
C19H16ClNO3
分子量
341.79

名称と別名

1467057-23-3PF-064095776-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acidA89WAM8FBHRefChem:202572110-458-4PF 064095771H-Indole-3-carboxylic acid, 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-MFCD29917835EX-A2599s8335
名称をさらに表示
6-クロロ-5-[4-(1-ヒドロキシシクロブチル)フェニル]-1H-インドール-3-カルボン酸CS-2760EOS-61684PF 6409577PF-06409577 ，S8335PF-06409577 >=98% (HPLC)PF-06409577, 10 mM in DMSO6-chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylicacid
AKOS030211017CCG-267937CS-8071PF-6409577PF064095776-Chloranyl-5-[4-(1-Oxidanylcyclobutyl)phenyl]-1~{h}-Indole-3-Carboxylic AcidUS9394285, 1Q27456575

データベース識別子

CAS
1467057-23-3
PubChem CID
71748255
DTXSID
DTXSID701357156
ChEMBL
CHEMBL3891221
ChEBI
CHEBI:231658
UNII
A89WAM8FBH
EC Number
110-458-4
Nikkaji
J3.544.439D

物性

構造計算による物性

XLogP
3.6
極性表面積
73.3 Ų
水素結合供与体数
3
水素結合受容体数
3
回転可能結合数
3
重原子数
24

物理化学的性質

沸点
610.9 · 610.9±55.0 °C(Predicted)
比重(密度)
1.468 · 1.468±0.06 g/cm3(Predicted)
貯蔵温度
room temp
溶解性
DMSO: soluble
外見
粉
酸解離定数(Pka)
3.6 · 3.60±0.30(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

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 · 3 件

説明PF-06409577 is an activator of AMP-activated protein kinase (AMPK) heterotrimers (Kd = 9 nM for α1β1γ1). In vitro, it selectively activates β1-containing AMPK isoforms (EC50s = 2.18-7.03 nM) over β2-containing isoforms (EC50s = ≥10 μM). PF-06409577 has an EC50 value of 7 nM in an activation/protection TR-FRET assay using α1β1γ1 AMPK. In vivo, PF-06409577 (≥10 mg/kg) increases phosphorylation of AMPK in rat kidney. It decreases urinary albumin levels in a ZSF1 obese rat model of diabetes, metabolic syndrome, and renal disease when administered at a dose of 100 mg/kg.

使用PF-06409577 has been used to determine its potential as a therapeutic agent for diabetic nephropathy.

一般的な説明PF-06409577 is a 6-chloro-indole derivative obtained from 5-bromo-6-chloro-indole.

上流・下流製品情報

サプライヤー66 社

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
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]
上海冬洋生物科技有限公司0512-13601744364 13601744364

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