CAS 459429-39-1 1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea (HCID 9842609)

기본 정보

CAS: 459429-39-1
표준 SMILES: CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
InChIKey: IFJYEGJUQIBBQV-UHFFFAOYSA-N
분자식: C18H22BrN3O
평균 분자량: 376.3 g/mol
단동위원소 질량: 375.09462

이름 및 식별자

우선 이름: 1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
IUPAC: 1-(2-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
현지명: N-(2-브로모페닐)-N'-[2-[에틸(3-메틸페닐)아미노]에틸]-우레아
영어명: N-(2-Bromophenyl)-N'-[2-[ethyl(3-methylphenyl)amino]ethyl]-urea
분자식: C18H22BrN3O
분자량: 376.29

이름 및 동의어

SB 452533459429-39-1SB4525331-(2-bromophenyl)-3-(2-(ethyl(m-tolyl)amino)ethyl)ureaSB-4525331-(2-bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}ureaN-(2-Bromophenyl)-N'-[2-[ethyl(3-methylphenyl)amino]ethyl]-urea1-(2-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urean-(2-bromophenyl)-n'-[2-[ethyl(3-methylphenyl)amino]ethyl]urean-(2-bromophenyl)-n'-{2-[ethyl(3-methylphenyl)amino]ethyl}-ureaIFJYEGJUQIBBQV-UHFFFAOYSA-NC18H22BrN3O

이름 더 보기

N-(2-브로모페닐)-N'-[2-[에틸(3-메틸페닐)아미노]에틸]-우레아SB 452533 >=98% (HPLC)SB 452533, 10 mM in DMSOUrea, N-(2-bromophenyl)-N'-[2-[ethyl(3-methylphenyl)amino]ethyl]-ATP,glucose oxidation,inhibit,ERK1/2,TRPV1,SB 452533,pulmonary,TRP Channel,fibrosis,SB452533,CAMKK2,skeletal muscle,SB-452533,capsaicin,Inhibitor,Transient receptor potential channels

CHEMBL120735GTPL4310orb1305665SCHEMBL6732278SCHEMBL31679065BDBM204683-(2-bromophenyl)-1-{2-[ethyl(3-methylphenyl)amino]ethyl}ureaJTA42939

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 44.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 23
형식 전하: 0
복잡도: 366

물리화학적 성질

끓는 점: 481.7 · 481.7±45.0 °C(Predicted)
밀도: 1.347 · 1.347±0.06 g/cm3(Predicted)
저장 조건: Store at RT
용해도: 20 mg/mL, · DMSO: 용해성20mg/mL, 투명
산도 계수 (pKa): 13.43 · 13.43±0.46(Predicted)
물리적 상태: 가루
색상: 노란색에서 주황색으로

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P273, P301+P317, P330, P391, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
risk_code: 50/53
hazard_code: N
safety_code: 60-61

화학 및 산업

응용 분야

용도SB 452533 is a potent, selective and orally bioavailable TRPV1 antagonist.

공급사23 곳

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

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

화합물 노트

불러오는 중…

N-(2-브로모페닐)-N'-[2-[에틸(3-메틸페닐)아미노]에틸]-우레아