기본 정보
- 표준 SMILES
O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12- InChIKey
TZZNWMJZDWYJAZ-UHFFFAOYSA-N- 분자식
- C17H12O4
- 평균 분자량
- 280.27 g/mol
- 단동위원소 질량
- 280.07355886
개요
Mitoflaxone is a small molecule drug. Mitoflaxone has a monoisotopic molecular weight of 280.07 Da.
이름 및 식별자
- 우선 이름
- Flavone-8-Acetic Acid
- IUPAC
- 2-(4-oxo-2-phenylchromen-8-yl)acetic acid
- 현지명
- 미토플락손
- 영어명
- Mitoflaxone
- 분자식
- C17H12O4
- 분자량
- 280.27
이름 및 동의어
MitoflaxoneFlavone acetic acid87626-55-9flavone-8-acetic acidLM-975MitoflaxonaNSC-347512MitoflaxonumNSC 3475124-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acidNSC3475124H-1-BENZOPYRAN-8-ACETIC ACID, 4-OXO-2-PHENYL-
이름 더 보기
미토플락손NSC-37512FLAVONE-8-ACETICACID2-(4-oxo-2-phenylchromen-8-yl)acetic acid2-(4-oxo-2-phenyl-4H-chromen-8-yl)acetic acid(WXG00880)
2-Phenyl-8-(carboxymethyl)-benzopyran-4-oneDTXSID50236534X230G6E63BRefChem:159087DTXCID80159025(4-Oxo-2-phenyl-4H-chromen-8-yl)-acetic acid4H-1-benzopyran-8-acetic Acid, 4-Oxo-2-phenylMitoflaxone [INN]
데이터베이스 식별자
- CAS
87626-55-9- PubChem CID
- 55748
- DTXSID
DTXSID50236534- ChEMBL
CHEMBL443793- UNII
- X230G6E63B
- Nikkaji
- J227.455H
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 448
실험 및 물리화학적 성질
Solubility
Water < 0.1 (mg/mL)
0.1 N NaOH ~20 (mg/mL)
0.1 N HCl < 0.1 (mg/mL)
0.1 M NaHCO3 < 0.3 (mg/mL)
95% EtOH 1 (mg/mL)
MeOH 1 (mg/mL)
Stability/Shelf LifeBulk: As a bulk chemical, Flavone -8- acetic acid is stable for at least 3 months at 60 °C (HPLC).
Solution: Solutions of 1 mg/mL dissolved in 0.1 N NaOH (pH 9) showed no decomposition for at least 27 hours.
물리화학적 성질
- 녹는점
- 234 °C · 234 °C(Solv: ethanol (64-17-5))
- 끓는 점
- 507.9 · 507.9±50.0 °C(Predicted)
- 밀도
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.16 · 4.16±0.10(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
공급사6 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
南京尚书生物科技有限公司18266960953 · [email protected]
上海抚生实业有限公司021-52961053 13524666654 · [email protected]
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