PF-06409577

HCID 71748255
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기본 정보

CAS
1467057-23-3
표준 SMILES
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12
InChIKey
FHQXLWCFSUSXBF-UHFFFAOYSA-N
분자식
C19H16ClNO3
평균 분자량
341.8 g/mol
단동위원소 질량
341.08187105

개요

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.

이름 및 식별자

우선 이름
PF-06409577
IUPAC
6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
영어명
6-chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylicacid
분자식
C19H16ClNO3
분자량
341.79

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.6
극성 표면적
73.3 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
24

물리화학적 성질

끓는 점
610.9 · 610.9±55.0 °C(Predicted)
밀도
1.468 · 1.468±0.06 g/cm3(Predicted)
저장 조건
room temp
용해도
DMSO: 용해될 수 있다
물리적 상태
가루
산도 계수 (pKa)
3.6 · 3.60±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
WGK 3
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요PF-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.

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

일반 설명PF-06409577 is a 6-chloro-indole derivative obtained from 5-bromo-6-chloro-indole.

상·하류 제품 정보

공급사66 곳

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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