기본 정보
- CAS
1847-63-8- 표준 SMILES
COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1.Cl- InChIKey
HJOOGTROABIIIU-UHFFFAOYSA-N- 분자식
- C29H32ClNO2
- 평균 분자량
- 462 g/mol
- 단동위원소 질량
- 461.21215694
개요
Nafoxidine Hydrochloride is the hydrochloride salt of the partial estrogen antagonist nafoxidine. Nafoxidine competes with endogenous estrogen for binding to specific estrogen receptors. This agent also inhibits angiogenesis in some tissues by blocking the effects of fibroblast growth factor (FGF) and vascular endothelial growth factor (VEGF); paradoxically, it may enhance angiogenesis in uterine tissue. Nafoxidine also induces oxidative stress, protein kinase C and calcium signaling. (NCI04)
이름 및 식별자
- 우선 이름
- Nafoxidine Hydrochloride
- IUPAC
- 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
- 영어명
- Nafoxidine
- 분자식
- C29H32ClNO2
- 분자량
- 462.02288
이름 및 동의어
NAFOXIDINE HYDROCHLORIDE1847-63-8Nafoxidine HClU-11100AU 11100ANSC-7073511100ASU8WBD61G11-(2-(p-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)pyrrolidine hydrochlorideDTXSID30171651NSC70735U-11100
이름 더 보기
CP-56CP-5600NafoxidenPNU-0011100Nafoxidene hydrochloride
1-[2-[p-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy]ethyl]pyrrolidine hydrochlorideRefChem:164409DTXCID6094142U-11,000A1-(2-(4-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)pyrrolidine Hydrochloride439-520-1606-036-9U 11100
데이터베이스 식별자
- CAS
1847-63-8- PubChem CID
- 15805
- DTXSID
DTXSID30171651- ChEMBL
CHEMBL2106733- UNII
- SU8WBD61G1
- EC Number
- 439-520-1、606-036-9
물성
구조 계산 물성
- 극성 표면적
- 21.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 611
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 165 · 165-168℃
- 저장 조건
- room temp
- 용해도
- 2 O: · H2O: ≥8mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- 수용성
- 2 O: · H2O: ≥8mg/mL
- InChIKey
- HJOOGTROABIIIU-UHFFFAOYSA-N
- SMILES
- Cl.COc1ccc2c(CCC(c3ccccc3)=C2c4ccc(OCCN5CCCC5)cc4)c1
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P302+P352, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/13029
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- UY0880000
- ridadr
- 2811
- risk_code
- 20/21/22-40
- hazard_code
- Xn
- safety_code
- 22-36
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralCarc. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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)
응용 분야
용도Nafoxidine is a non-steroidal antiestrogenic drug that is structurally related to Tamoxifen (T006000). Nafoxidine is a potent estrogen receptor antagonist that exhibits anti-proliferative properties.
공급사36 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Shanghai Innopharm Industrial Co., Ltd.+86-21-59960785 +86-17701845089 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
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