Jtc-801

HCID 5311339CAS 244218-51-7

기본 정보

표준 SMILES: CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1.Cl
InChIKey: NQLIYKXNAXKMBL-UHFFFAOYSA-N
분자식: C26H26ClN3O2
평균 분자량: 448 g/mol
단동위원소 질량: 447.17135475

이름 및 식별자

우선 이름: Jtc-801
IUPAC: N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide;hydrochloride
영어명: JTC 801
분자식: C26H25N3O2.ClH
분자량: 447.963

이름 및 동의어

JTC-801244218-51-7JTC 801JTC8017I21WLZ2FPDTXSID10415525Benzamide, N-(4-amino-2-methyl-6-quinolinyl)-2-((4-ethylphenoxy)methyl)-, hydrochloride (1:1)Benzamide, N-(4-amino-2-methyl-6-quinolinyl)-2-((4-ethylphenoxy)methyl)-, monohydrochlorideRefChem:150581DTXCID00366375N-(4-amino-2-methylquinolin-6-yl)-2-((4-ethylphenoxy)methyl)benzamideJTC-801 HCl

이름 더 보기

CS-161JTC 801 HClJTC-801/JTC801JTC 801 USP/EP/BPJTC-801 >=98% (HPLC)JTC-801 hydrochlorideJTC-801, 10 mM in DMSON-(4-Amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]benzamidehydrochlorideN-(4-AMino-2-Methyl-quinolin-6-yl)-2-(4-ethyl-phenoxyMethyl)-benzaMide hydrochloride

N-(4-amino-2-methylquinolin-6-yl)-2-((4-ethylphenoxy)methyl)benzamide hydrochlorideMFCD06198707N-(4-Amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]benzamide hydrochlorideTCMDC-125882N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide;hydrochlorideN-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide hydrochlorideUNII-7I21WLZ2FP244218-51-7 (free base).

데이터베이스 식별자

CAS: 244218-51-7
PubChem CID: 5311339
DTXSID: DTXSID10415525
ChEMBL: CHEMBL531742
UNII: 7I21WLZ2FP
EC Number: 663-066-5

물성

구조 계산 물성

극성 표면적: 77.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 32
형식 전하: 0
복잡도: 577

물리화학적 성질

녹는점: 235 ℃ · 235℃
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 20 mg/mL · DMSO: ≥20mg/mL
물리적 상태: 가루
색상: 갈색을 띤 노란색
InChI: 1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H
InChIKey: NQLIYKXNAXKMBL-UHFFFAOYSA-N
SMILES: C(=O)(C1C=CC=CC=1COC1C=CC(CC)=CC=1)NC1C=CC2=NC(C)=CC(N)=C2C=1.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

wgk: 1
risk_code: 36
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도JTC 801 is a novel opioid receptor-like1 (ORL1) receptor antagonist.

공급사50 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

연결된 노트

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