기본 정보
- CAS
13122-87-7- 표준 SMILES
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1- InChIKey
JFHROPTYMMSOLG-UHFFFAOYSA-N- 분자식
- C27H26N4O5S
- 평균 분자량
- 518.6 g/mol
- 단동위원소 질량
- 518.16239112
개요
GSK-256066 is gsk256066 has been used in trials studying the treatment and diagnostic of SAR, Asthma, Mild Asthma, Allergic Rhinitis, and Seasonal Allergic Rhinitis, among others.
이름 및 식별자
- 우선 이름
- Gsk-256066
- IUPAC
- 6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
- 영어명
- 6-[[3-[(Dimethylamino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide
- 분자식
- C27H26N4O5S
- 분자량
- 518.58
이름 및 동의어
GSK256066801312-28-7GSK-256066GSK 256066UNII-2D6GK059SR2D6GK059SRDTXSID302300903-Quinolinecarboxamide, 6-((3-((dimethylamino)carbonyl)phenyl)sulfonyl)-4-((3-methoxyphenyl)amino)-8-methyl-6-[3-(dimethylcarbamoyl)benzenesulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamideD-Phenylalanine, N-((phenylmethoxy)carbonyl)-L-phenylalanyl-, methyl ester6-(3-(dimethylcarbamoyl)benzenesulfonyl)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamideRefChem:144515
이름 더 보기
GSK2606416CS-27GSK256066 ，S2620GSK256066, 10 mM in DMSOPDE4B inhibitor GS2560666-(3-(Dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-carboxami
DTXCID301525816-[[3-[(DIMETHYLAMINO)CARBONYL]PHENYL]SULFONYL]-4-[(3-METHOXYPHENYL)AMINO]-8-METHYL-3-QUINOLINECARBOXAMIDE6-[3-(Dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide6-(3-(dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-carboxamide6-((3-(dimethylcarbamoyl)phenyl)sulfonyl)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamideMFCD18206923GSK256066 HClCHEMBL570015
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 922
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.69
물리화학적 성질
- 끓는 점
- 791.7 · 791.7±60.0 °C(Predicted)
- 밀도
- 1.345 · 1.345
- 저장 조건
- -20 °C,unstable · Store at -20°C,unstable in solution, ready to use.
- 용해도
- 2 O · insoluble in DMSO; insoluble in EtOH; insoluble in H2O
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 15.01 · 15.01±0.30(Predicted)
- 색상
- Light yellow to yellow
- InChIKey
- JFHROPTYMMSOLG-UHFFFAOYSA-N
- SMILES
- [S](=O)(=O)(c4cc(ccc4)C(=O)N(C)C)c1cc2c([nH]cc([c]2=Nc3cc(ccc3)OC)C(=O)N)c(c1)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P261, P271, P284, P304+P340, P316, P319, P320, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (100%)
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Quinoline derivative and a potential selective PDE4 phosphodiesterase inhibitor to treat prophylaxis or treatment of clinical conditions such as inflammatory or allergic diseases.
공급사72 곳
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
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