드롤록시펜 - ≥98% , Estrogen receptor modulator, CAS No.82413-20-5, Estrogen receptor modulator

CAS: 82413-20-5 Cat. No.: D275609 분자식: C₂₆H₂₉NO₂ 분자량: 387.51 EC 번호: 428-010-4

GRADE & PURITY ≥98%

Synonyms

D03911 | FK-435 | MS-26418 | PHENOL, 3-1-4-2-(DIMETHYLAMINO)ETHOXYPHENYL-2-PHENYL-1-BUTENYL-, (E)- | Droloxifenum [Latin] | EC 428-010-4 | (E)-3-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol | 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl

Storage

실내 온도

Shipped In

보통

개요

실온에서 보관하세요. 제품은 최대 12개월까지 보관할 수 있습니다.

Specifications

동의어

D03911 | FK-435 | MS-26418 | PHENOL, 3-1-4-2-(DIMETHYLAMINO)ETHOXYPHENYL-2-PHENYL-1-BUTENYL-, (E)- | Droloxifenum [Latin] | EC 428-010-4 | (E)-3-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol | 3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

선택적 에스트로겐 수용체 조절제. 타목시펜 유사체. 파골세포와 MCF-7 세포에서 p53 활성화 및 세포 사멸을 유도합니다. 조직 선택적 에스트로겐 및 항에스트로겐 효과를 나타냅니다. 생체 내 골 재흡수를 억제합니다. 경구 활성.

출처

Synthetic

보관 조건

실내 온도

배송

보통

작업 유형

MODULATOR

작동 메커니즘

Estrogen receptor modulator

참고

가능하면 당일에 용액을 준비하여 사용하는 것이 좋습니다. 그러나 미리 원액을 만들어야 하는 경우에는 -20°C에서 단단히 밀봉된 바이알에 소량씩 보관하는 것이 좋습니다. 일반적으로 최대 한 달 동안 사용할 수 있습니다. 사용하기 전에 바이알을 열기 전에 제품을 실온에서 최소 1시간 동안 평형을 이루도록 하는 것이 좋습니다. 용해도, 사용법 및 취급에 대한 추가 정보가 필요하신가요? 자주 묻는 질문(FAQ) 페이지에서 자세한 내용을 확인하세요.

순수함

≥98%

제품 특성

ALogP

6.8

이름과 식별자

정식 스마일

CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)O)C3=CC=CC=C3

IUPAC Name

3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

InChIKey

ZQZFYGIXNQKOAV-OCEACIFDSA-N

INCHI

1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+

이성체 SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=CC=C2)O)/C3=CC=CC=C3

분자량

387.51

Reaxy-Rn

15606483

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15606483&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: stilbenoid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Vero (26788 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR1 Estrogen receptor (4 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO
• 감도: Light sensitive
• 분자량: 387.500 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 387.22 Da
• Monoisotopic Mass: 387.22 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 501.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1