기본 정보
- CAS
54965-24-1- 표준 SMILES
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
FQZYTYWMLGAPFJ-OQKDUQJOSA-N- 분자식
- C32H37NO8
- 평균 분자량
- 563.6 g/mol
- 단동위원소 질량
- 563.25191714
이름 및 식별자
- 우선 이름
- Tamoxifen Citrate
- IUPAC
- 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- 영어명
- Tamoxifen citrate
- 분자식
- C32H37NO8
- 분자량
- 563.64
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
54965-24-1- PubChem CID
- 2733525
- DTXSID
DTXSID8021301- ChEMBL
CHEMBL786- UNII
- 7FRV7310N6
- EC Number
- 259-415-2
물성
구조 계산 물성
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 690
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 140 · 140-144 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 50 mg/mL, · 메탄올: 용해성50mg/mL, 투명, 무색
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- rabbit
- 수용성
- 약간 용해됨
- Merck
- 14 · 14,9048
- BCS Class
- 1 · 1
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO의 솔루션은 -20°에서 최대 2개월 동안 보관할 수 있습니다.
- 주요 응용
- 의약품(소분자)
- InChIKey
- FQZYTYWMLGAPFJ-OQKDUQJOSA-N
- SMILES
- C(/C1=CC=CC=C1)(\C1C=CC(OCCN(C)C)=CC=1)=C(/CC)\C1=CC=CC=C1.C(O)(C(=O)O)(CC(=O)O)CC(=O)O
- EPA
- Tamoxifen citrate (54965-24-1)
화학적 성질
Tamoxifen citrate is a white to off-white powder with no smell. It can dissolve in methanol, ethanol, and acetone to varying degrees and can slightly dissolve in trichloromethane, but it is almost insoluble in water. It can dissolve in glacial acetic acid. When tamoxifen citrate reaches a temperature between 142-148°C, it melts and decomposes at the same time.
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral];H350 (97.4%): May cause cancer [Danger Carcinogenicity];H360 (96.2%): May damage fertility or the unborn child [Danger Reproductive toxicity];H362 (39.7%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation];H410 (11.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Hazard Traits - Developmental Toxicity;Authoritative List - Prop 65;Report - regardless of intended function of ingredient in the product
Tamoxifen citrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): Environment tier I assessment;IMAP assessments - Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): Human health tier I assessment
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Tamoxifen citrate
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
규제 정보
Regulatory Information
Hazard Traits - Developmental Toxicity;Authoritative List - Prop 65;Report - regardless of intended function of ingredient in the product
Tamoxifen citrate: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- rtecs
- KH2387000
- ridadr
- UN 3077 9 / PGIII
- 독성
- LD50 in mice, rats (mg/kg): 200, 600 i.p.; 62.5, 62.5 i.v.; 3000-6000, 1200-2500 orally (Furr, Jordan)
- HS 번호
- 29225090
- risk_code
- 45-60-61-22-64-36/37/38
- hazard_code
- T,Xi
- safety_code
- 53-36/37/39-45-36-26
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 1BRepr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
FDA Pharmacological Classification
TAMOXIFEN CITRATE
Estrogen Agonist/Antagonist [EPC]; Selective Estrogen Receptor Modulators [MoA]
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)
A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)
Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.
응용 분야
개요Tamoxifen is a non-steroidal compound with structural similarities to diethylstilbestrol. Tamoxifen citrate is an estrogen receptor antagonist/partial agonist. Induces oxidative stress and apoptosis in estrogen receptor-negative cancer cell lines. Displays neuroprotective effects in permanent focal ischemia. Inhibits PKC. Potent agonist at GPR30 (membrane estrogen receptor). Clinically useful breast cancer agent.
용도Tamoxifen Citrate is a selective estrogen response modifier (SERM), protein kinase C inhibitor and anti-angiogenetic factor. Tamoxifen is a prodrug that is metabolized to active metabolites 4-hydroxytamoxifen (4-OHT) and endoxifen by cytochrome P450 isoforms CYP2D6 and CYP3A4.
일반 설명Tamoxifen, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine(Nolvadex), is a triphenylethylene SERM used to treatearly and advanced breast carcinoma in postmenopausalwomen. Tamoxifen is used as adjuvant treatment for breastcancer in women following mastectomy and breast irradiation.It reduces the occurrence of contralateral breast cancerin patients receiving adjuvant tamoxifen therapy. It is alsoeffective in the treatment of metastatic breast cancer in bothwomen and men. In premenopausal women with metastaticbreast cancer, tamoxifen is an alternative to oophorectomyor ovarian irradiation. Tamoxifen can be used preventativelyto reduce the incidence of breast cancer in women athigh risk. Antiestrogenic and estrogenic side effects caninclude hot flashes, nausea, vomiting, platelet reduction,and (in patients with bone metastases) hypercalcemia. Likeall triphenylethylene derivatives, it should be protectedfrom light.
상·하류 제품 정보
상류 원료
공급사100 곳
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