기본 정보
- CAS
545395-94-6- 표준 SMILES
CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1- InChIKey
GZTFUVZVLYUPRG-IZZDOVSWSA-N- 분자식
- C21H23NO3
- 평균 분자량
- 337.4 g/mol
- 단동위원소 질량
- 337.1677936
개요
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide is a secondary carboxamide and a member of cinnamamides.
이름 및 식별자
- 우선 이름
- Amg-9810
- IUPAC
- (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
- 영어명
- AMG 9810
- 분자식
- C21H23NO3
- 분자량
- 337.41
이름 및 동의어
545395-94-6AMG9810AMG 9810AMG-9810182HIJ2D7F2E-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1,1-dimethylethyl)phenyl]-2-Propenamide3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide(2E)-N-(2H,3H-BENZO(3,4-E)-1,4-DIOXAN-6-YL)-3-(4-(TERT-BUTYL)PHENYL)PROP-2-ENAMIDE2-PROPENAMIDE, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-(4-(1,1-DIMETHYLETHYL)PHENYL)-, (2E)-2E-N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(4-(1,1-dimethylethyl)phenyl)-2-propenamide2-Propenamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1,1-dimethylethyl)phenyl]-, (2E)-RefChem:556947
이름 더 보기
9810CS-2548AMG-9810 ，S6934AMG9810, 10 mM in DMSOAMG 9810 >=98% (HPLC), powder(2E)-N-(2，3-Dihydro-1，4-benzodiAMG 9810, TRPV1 receptor antagonist3-[4-(TERT-BUTYL)PHENYL]-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ACRYLAMIDE
DTXCID201476723637-276-2DTXSID40202960(E)-3-(4-(tert-butyl)phenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamideMFCD00955103(2E)-N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[4-(1,1-dimethylethyl)phenyl]-2-propenamideCHEMBL195789HMS3263D18
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 474
물리화학적 성질
- 끓는 점
- 512.5 · 512.5±50.0 °C(Predicted)
- 밀도
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 5 mg/mL · 에 용해됨 DMSO: >5mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.22 · 12.22±0.20(Predicted)
- 색상
- 흰색에서 베이지색
- InChI
- 1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+
- InChIKey
- GZTFUVZVLYUPRG-IZZDOVSWSA-N
- SMILES
- CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요AMG 9810 is a competitive antagonist of capsaicin activation of the vanilloid receptor 1 (TRPV1) (IC50s = 24.5 and 85.6 nM for human and rat, respectively). Additionally, it has been shown to compete with other modes of TRPV1 activation, including protons (IC50s = 92.7 and 294 nM for human and rat, respectively), heat (IC50s = 15.8 and 21 nM for human and rat, respectively), and the endogenous ligands: anandamide, N-arachidonyl dopamine (IC50s = 8.5 and 260 nM for human and rat, respectively), and oleoyldopamine. In a rat model of inflammatory pain induced by intraplantar injection of complete Freund’s adjuvant, 30-100 mg/kg AMG 9810 reverses thermal and mechanical hyperalgesia.
용도AMG 9810 is a competitive antagonist of capsaicin activation of the vanilloid receptor 1 (TRPV1) (IC50s = 24.5 and 85.6 nM for human and rat, respectively). Additionally, it has been shown to compete with other modes of TRPV1 activation, including protons (IC50s = 92.7 and 294 nM for human and rat, respectively), heat (IC50s = 15.8 and 21 nM for human and rat, respectively), and the endogenous ligands: anandamide, N-arachidonyl dopamine (IC50s = 8.5 and 260 nM for human and rat, respectively), and oleoyldopamine. In a rat model of inflammatory pain induced by intraplantar injection of complete Freund’s adjuvant, 30-100 mg/kg AMG 9810 reverses thermal and mechanical hyperalgesia.[Cayman Chemical]
공급사70 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海优宁维生物科技股份有限公司
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