기본 정보
- CAS
282089-49-0- 표준 SMILES
CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12- InChIKey
GRAJFFFXJYFVOC-UHFFFAOYSA-N- 분자식
- C24H26N2O6
- 평균 분자량
- 438.5 g/mol
- 단동위원소 질량
- 438.17908655
개요
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is a member of quinolines and an aromatic amide.
이름 및 식별자
- 우선 이름
- Jte-907
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
- 영어명
- JTE 907
- 분자식
- C24H26N2O6
- 분자량
- 438.47
이름 및 동의어
282089-49-0JTE 907JTE-907N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2-DIHYDRO-7-METHOXY-2-OXO-8-(PENTYLOXY)-3-QUINOLINECARBOXAMIDEDAV3Q7SNOL3-Quinolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-7-methoxy-2-oxo-8-(pentyloxy)-DTXSID001010010RefChem:792548DTXCID101436433683-684-9N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamideCHEMBL178372
이름 더 보기
JTE907 (JTE-907JTE-907, 10 mM in DMSO3-QuinolinecarboxaMide,N-(1,3-benzodioxol-5-ylMethyl)-1,2-dihydro-7-Methoxy-2-oxo-8-(pentyloxy)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyloxy)-1,2-dihydroquinoline-3-carboxamide
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide170148-29-5N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-Methoxy-2-oxo-8-(pentyloxy)-1,2-dihydro-quinolin-3-carboxamideUNII-DAV3Q7SNOLN-(benzo[d][1,3]dioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentylorb1089681orb1706000SCHEMBL3684662
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 95.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 698
물리화학적 성질
- 끓는 점
- 704.2 · 704.2±60.0 °C(Predicted)
- 밀도
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 10 mg/mL · DMSO: ≥10mg/mL
- 산도 계수 (pKa)
- 9.49 · 9.49±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- InChIKey
- GRAJFFFXJYFVOC-UHFFFAOYSA-N
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, P270, P301+P317, P330, and P501 (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 CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- VB1150900
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요JTE-907 is a selective peripheral cannabinoid (CB2) receptor agonist with Kd values of 25 and 2,370, 1.55 and 1,060, and 0.38 and 1,050 nM for human, mouse, and rat CB2 and CB1 receptors, respectively. It increases forskolin-stimulated cAMP production in CHO cells expressing human and mouse CB2 in a dose-dependent manner. In vivo, JTE-907 inhibits carrageenin-induced edema in mouse paws with an ED50 value of 0.05 mg/kg. JTE-907 also inhibits spontaneous scratching in a mouse model of chronic dermatitis at doses of 1 and 10 mg/kg.
용도Potent and selective ligands for cannabinoid type 2 receptors (CB2Rs) may have therapeutic potential for treating CB2Rs related inflammatory diseases (1). JTE 907 is a selective cannabinoid CB2 receptor inverse agonist with anti-inflammatory properties (2,3). Synthetic cannabinoids
공급사42 곳
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…