기본 정보
- CAS
135525-77-8- 표준 SMILES
CCc1cc(NCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C- InChIKey
VDZJXIOFISBBLT-UHFFFAOYSA-N- 분자식
- C18H21N3O2
- 평균 분자량
- 311.4 g/mol
- 단동위원소 질량
- 311.16337691
개요
structure given in first source
이름 및 식별자
- 우선 이름
- L 697639
- IUPAC
- 3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
- 영어명
- L 697639
- 분자식
- C18H21N3O2
- 분자량
- 311.38
이름 및 동의어
135525-77-8L-697639HND0YP0TJGL-697,639L 697639DTXSID501594562(1H)-Pyridinone, 3-(((4,7-dimethyl-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl-RefChem:924335DTXCID80819473-(((4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one3-(((4,7-DIMETHYL-2-BENZOXAZOLYL)METHYL)AMINO)-5-ETHYL-6-METHYL-2(1H)-PYRIDINONE
이름 더 보기
5-Ethyl-6-methyl-3-(4,7-dimethylbenzoxazole-2-ylmethylamino)-2(1H)-pyridinone5-Ethyl-6-methyl-3-[[(4,7-dimethylbenzoxazol-2-yl)methyl]amino]pyridin-2(1H)-one3-[[(4,7-Dimethylbenzoxazol-2-yl)methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one3-[(4,7-Dimethylbenzoxazole-2-ylmethyl)amino]-5-ethyl-6-methylpyridine-2(1H)-one
3-[[(4,7-Dimethyl-2-benzoxazolyl)methyl]amino]-5-ethyl-6-methyl-2(1h)-pyridinone3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl]amino}-5-ethyl-6-methylpyridin-2(1H)-oneDRG-01013benzoxazolMeNH deriv.UNII-HND0YP0TJGCHEMBL37803BDBM1314orb1700200
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 540
물리화학적 성질
- Boiling point
- 531.043 · 531.043±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.208 · 1.208±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.531 · 13.531±0.10(predicted)
- FDA UNII
- 0 YP0TJG · HND0YP0TJG
화학 및 산업
응용 분야
UsesL-697639 is an inhibitor for HIV-1 reverse transcriptase (HIV-1 RT) with IC50 of 20-400 nM (in a template-primer-dependent manner). L-697639 exhibits antiviral activity, that inhibits 95% HIV-1 infection at concentrations of 12-200 nM in human T lymphocyte cultures[1].
공급사3 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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