CAS 218156-96-8 Srpin340 (HCID 2797577)

概要

Serine-Arginine-Rich Protein Kinase Inhibitor

名称と識別子

優先名称: Srpin340
IUPAC: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
現地名: SRPIN340
英語名: SRPK inhibitor
分子式: C18H18F3N3O
分子量: 349.35

名称と別名

SRPIN340218156-96-8SRPIN-3409QS4MR9N9DRefChem:932150N-(2-(Piperidin-1-yl)-5-(trifluoromethyl)phenyl)isonicotinamideSRPIN 340SRPK inhibitorN-[2-(1-Piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamideMFCD00116244N-[2-(Piperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamideN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

名称をさらに表示

CS-910SRPIN340, >=98%SRPIN340 >=98% (HPLC)SRPIN340, 10 mM in DMSOSRPK Inhibitor(SRPIN340)SRPIN340 (SRPK inhibitor)

4-Pyridinecarboxamide, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-CHEMBL4064277N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]isonicotinamideN-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamideN-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinamideSRPIN340?orb1225648orb1306986

データベース識別子

CAS: 218156-96-8
PubChem CID: 2797577
ChEMBL: CHEMBL4064277
UNII: 9QS4MR9N9D
EC Number: 808-979-3
Nikkaji: J2.385.677H

物性

構造計算による物性

XLogP: 3.5
極性表面積: 45.2 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 25
形式電荷: 0
複雑度: 445

物理化学的性質

沸点: 395.9 · 395.9±42.0 °C(Predicted)
比重(密度): 1.306 · 1.306±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: 20 mg/mL、透明 · DMSO：可溶20mg/mL、透明
外見: 粉
酸解離定数(Pka): 11.09 · 11.09±0.70(Predicted)
色: 白からベージュ
安定性: -20 °Cで最大1か月保存できます。 · DMSO溶液またはエタノール溶液で-20°Cで最大1か月保存できます。
InChI: 1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
InChIKey: DWFGGOFPIISJIT-UHFFFAOYSA-N
SMILES: O=C(C1=CC=NC=C1)NC2=C(N3CCCCC3)C=CC(C(F)(F)F)=C2

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
risk_code: 22
hazard_code: Xn
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明Serine/arginine-rich protein kinase 1 (SRPK1) targets proteins that contain multiple serine/arginine (SR) dipeptides, including SR-rich splicing factor 1, SRSF1. SRPIN340 is an isonicotinamide compound that inhibits SRPK1 (Ki = 0.89 μM). It is about 10-fold less effective against SRPK2 and does not inhibit the related SRPKs, Clk1 and Clk4. SRPIN340 suppresses the propagation of Sindbis virus in Vero cells and the replication of hepatitis C virus in Huh7/Rep-Feo-2a cells. By blocking SRPK1-mediated phosphorylation of SRSF1, SRPIN340 modulates alternative splicing of VEGF, reducing neovascularization both in cells and in animals.

使用SRPIN340 is a SRPK1 kinase inhibitor, which shows potential novel targeted therapeutic strategy in prostate cancer.