기본 정보
- CAS
960055-56-5- 표준 SMILES
CC(O)C(=O)O.Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1- InChIKey
XVDWNSFFSMWXJJ-ASTDGNLGSA-N- 분자식
- C24H29N3O5
- 평균 분자량
- 439.5 g/mol
- 단동위원소 질량
- 439.21072103
개요
Panobinostat lactate is a lactate salt having panobinostat(1+) as the counterion. A histone deacetylase inhibitor used in combination with bortezomib and dexamethasone for the treatment of multiple myeloma. It has a role as an antineoplastic agent, an angiogenesis modulating agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a lactate salt and an organoammonium salt. It contains a panobinostat(1+).
이름 및 식별자
- 우선 이름
- Panobinostat Lactate
- IUPAC
- (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;2-hydroxypropanoic acid
- 영어명
- Panobinostat lactate
- 분자식
- C3H6O3*C21H23N3O2
- 분자량
- 0
이름 및 동의어
Panobinostat lactate960055-56-5UNII-HN0T99OO4VHN0T99OO4Vpanobinostat lactate anhydrousCHEBI:85991(2E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino(methyl)phenyl)prop-2-enamide mono((2RS)-2-hydroxypropanoate)2-hydroxypropanoic acid--(2E)-N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)prop-2-enamide (1/1)2-hydroxypropanoic acid--(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide (1/1)N-((4-((1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl)phenyl)methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium 2-hydroxypropanoateN-({4-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium 2-hydroxypropanoateRefChem:57000
이름 더 보기
Panobinostat lactateQ: What is Panobinostat lactate Q: What is the CAS Number of Panobinostat lactate
(2E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)prop-2-enamide mono((2RS)-2-hydroxypropanoate)Panobinostat lactate [JAN](E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide 2-hydroxypropanoatePanobinostat (lactate)Farydak (TN)Panobinostat lactate (JAN)(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;2-hydroxypropanoic acid960055-56-5 (lactate)
데이터베이스 식별자
- CAS
960055-56-5- PubChem CID
- 23725423
- DTXSID
DTXSID401026247- ChEMBL
CHEMBL3545368- ChEBI
CHEBI:85991- UNII
- HN0T99OO4V
물성
구조 계산 물성
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 533
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
물리화학적 성질
- 용해도
- 2 mg/mL, · DMSO: 2 mg/mL, clear
- 물리적 상태
- powder
- 색상
- white to beige
- SMILES
- OC(C(O)C)=O.ONC(/C=C/C(C=C1)=CC=C1CNCCC2=C(C)NC3=CC=CC=C23)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Panobinostat lactate
Ambiguous-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
화학 및 산업
공급사17 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
上海与昂生物科技有限公司021-58111628 15800915896 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
관련 반응
4건
화합물 노트
불러오는 중…