기본 정보
- CAS
1384440-16-7- 표준 SMILES
CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(N)c3C2=O)ccc1O- InChIKey
RNEPXCGHBYQJJA-CQSZACIVSA-N- 분자식
- C19H20N2O6S
- 평균 분자량
- 404.4 g/mol
- 단동위원소 질량
- 404.10420754
이름 및 식별자
- 우선 이름
- O-Demethyl-N-deacetyl apremilast
- IUPAC
- 4-amino-2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione
- 영어명
- Apremilast
- 분자식
- C19H20N2O6S
- 분자량
- 404.44
이름 및 동의어
1384440-16-7O-Demethyl-N-deacetyl apremilastApremilast (m4)o-Desmethyl-N-deacetyl apremilastApremilast Impurity MUNII-98Z99JE779N-Desacetyl O4-Desmethyl Apremilast98Z99JE7794-amino-2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 4-amino-2-((1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl)-(S)-4-amino-2-(1-(3-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl)isoindoline-1,3-dioneApremilast metabolite M4
이름 더 보기
Apremilast impurity HS093312Apremilast Des Acetyl 4-Desmethyl Impurity3-acetamido-2-(methoxycarbonyl)benzoic acidApremilast Metabolite M4 (O-Desmethyl-N-Deacetyl Apremilast)4-amino-2-(1-(3-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl)isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 4-amino-2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl]-
SCHEMBL10275877RNEPXCGHBYQJJA-CQSZACIVSA-NQ27272153(S)-4-amino-2-[1-(3-ethoxy-4-hydroxy-phenyl)-2-methanesulfonyl-ethyl]-isoindole-1,3-dione
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 706
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Apremilast
물리화학적 성질
- 끓는 점
- 696.9 · 696.9±55.0 °C(Predicted)
- 밀도
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.82 · 9.82±0.31(Predicted)
화학 및 산업
응용 분야
용도N-Desacetyl O4-Desmethyl Apremilast is a related compound ofApremilast, an oral phosphodiesterase 4 inhibitor used for treating psoriatic arthritis.Apremilast is also an anti-inflammatory agent.
공급사24 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
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