기본 정보
- CAS
300816-15-3- 표준 SMILES
Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2- InChIKey
ODNICNWASXKNNQ-UHFFFAOYSA-N- 분자식
- C25H27N3O3
- 평균 분자량
- 417.5 g/mol
- 단동위원소 질량
- 417.20524173
개요
6-methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-2-spiro[1H-3,1-benzoxazine-4,4'-piperidine]one is a member of 1,3-oxazoles.
이름 및 식별자
- 우선 이름
- RS-504393
- IUPAC
- 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
- 영어명
- RS 504393
- 분자식
- C25H27N3O3
- 분자량
- 417.5
이름 및 동의어
300816-15-3RS 504393RS-5043936-methyl-1'-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl)-1,2-dihydrospiro(3,1-benzoxazine-4,4'-piperidine)-2-one6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-oneRefChem:180092RS5043936-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one6-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-oneMFCD09038564CHEMBL1340746-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro-[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one
이름 더 보기
RS504393 >=98% (HPLC)RS 504393, 10 mM in DMSORS 504393, CCR2 chemokine receptor antagonist6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spir...CC chemokine receptor,RS504393,Inhibitor,RS 504393,inhibit,CCR,RS-5043936-Methyl-1'-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethyl]-spiro[4H-3,1-benzoxazine-4,4'-piperidi6-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro-[benzo[d][1,3]oxazine-4,4'-piperidin]6-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro-[benzo[d][1,3]oxazine-4,4'-piperidin]-2(
6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-oneGTPL7816-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-oneorb1221018orb1301836SCHEMBL9972645CHEBI:93525EX-A8014F
데이터베이스 식별자
- CAS
300816-15-3- PubChem CID
- 9953769
- DTXSID
DTXSID20433290- ChEMBL
CHEMBL134074- ChEBI
CHEBI:93525- EC Number
- 803-392-9
- Nikkaji
- J1.360.271I
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 67.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 630
물리화학적 성질
- 밀도
- 1.28 · 1.28
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1 mg/mL, · DMSO: 용해성 1mg/mL, 투명(가온)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.39 · 13.390±0.20(predicted)
- 색상
- 흰색에서 베이지색
- InChI
- 1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)
- InChIKey
- ODNICNWASXKNNQ-UHFFFAOYSA-N
- SMILES
- N3(CCC4(OC(=O)Nc5c4cc(cc5)C)CC3)CCc1nc([o]c1C)c2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도RS 504393 is a small molecule antagonist at the CC chemokine receptor 2.
공급사75 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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武汉易泰科技有限公司上海分公司18930552037 · [email protected]
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ChemeGen 中国18818260767 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
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