기본 정보
- CAS
171746-21-7- 표준 SMILES
Cc1ccc(C2=CCC(C)(C)c3ccc(C#Cc4ccc(C(=O)O)cc4)cc32)cc1- InChIKey
NCEQLLNVRRTCKJ-UHFFFAOYSA-N- 분자식
- C28H24O2
- 평균 분자량
- 392.5 g/mol
- 단동위원소 질량
- 392.17763
이름 및 식별자
- 우선 이름
- 4-((5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl)benzoic acid
- IUPAC
- 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid
- 영어명
- 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid
- 분자식
- C28H24O2
- 분자량
- 392.49
이름 및 동의어
4-((5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl)benzoic acid4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoic acidRefChem:911988AGN 193109171746-21-7AGN193109AGN-1931094-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acidCD 3106ZC6062V1O94-((5,5-Dimethyl-8-(p-tolyl)-5,6-dihydronaphthalen-2-yl)ethynyl)benzoic acidCHEMBL358145
이름 더 보기
AGN 193109 SodiuM SaltAGN 193109, 10 mM in DMSO4-((5,5-Dimethyl-8-p-tolyl-5,6-dihydronaphthalen-2-yl)ethynyl)benzoic acid4-{[5,5-diMethyl-8-(4-Methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]benzoic AcidBenzoic acid, 4-[2-[5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]-AGN193109,Autophagy,Inhibitor,Retinoic acid receptors,Retinoid X receptors,RAR/RXR,AGN 193109,AGN-193109,inhibit
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 716
물리화학적 성질
- 녹는점
- 246 · 246-255C
- 끓는 점
- 564.5 · 564.5±50.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 클로로포름(약간 용해됨, 가열), DMSO(약간 용해됨, 초음파 처리)
- 산도 계수 (pKa)
- 4.08 · 4.08±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 황백색에서 연한 노란색
- 안정성
- 흡습성
- InChI
- 1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
- InChIKey
- NCEQLLNVRRTCKJ-UHFFFAOYSA-N
- SMILES
- O=C(O)C1=CC=C(C#CC2=CC=C3C(C)(C)CC=C(C4=CC=C(C)C=C4)C3=C2)C=C1
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도As a retinoic acid receptor (RAR) antagonist, 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid can be used for treating chemotherapy and radiation therapy side effects.
공급사43 곳
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司
관련 반응
13건
화합물 노트
불러오는 중…