AZD3514 - ≥98% , Androgen Receptor modulator, CAS No.1240299-33-5, Androgen Receptor modulator

CAS: 1240299-33-5 Cat. No.: A126496 분자식: C₂₅H₃₂F₃N₇O₂ 분자량: 519.56 EC 번호: 682-434-6

GRADE & PURITY ≥98%

Synonyms

1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone | AZD 3514 | AC-907/25014066 | BCP07896 | AZD3514 | AZD-3514 | UNII-127DSS8X7J | HY-16079 | 1-(4-(2-(4-(1-(3-(Trifluor

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

개요

AZD3514는 2.2 μM의 Ki를 가진 강력한 경구용 안드로겐 수용체 하향 조절제이며 AR 단백질 발현을 감소시키는 능력을 가지고 있습니다.

Specifications

동의어

1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone | AZD 3514 | AC-907/25014066 | BCP07896 | AZD3514 | AZD-3514 | UNII-127DSS8X7J | HY-16079 | 1-(4-(2-(4-(1-(3-(Trifluor

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

설명:
IC50 값: N/A
AZD3514는 진행성 전립선암 치료를 위한 저분자 안드로겐 수용체 하향 조절제입니다[1]. AZD3514는 AR 리간드 결합 도메인에 결합하며 다른 AR에 비해 AR에 결합하는 선택성을 가지고 있습니다

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

작업 유형

MODULATOR

작동 메커니즘

Androgen Receptor modulator

순수함

≥98%

제품 특성

• ALogP: 1.7

이름과 식별자

• Pubchem Sid: 504770845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770845
• 정식 스마일: CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4
• IUPAC Name: 1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
• InChIKey: JMEYDSHPKCSIJC-UHFFFAOYSA-N
• INCHI: 1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
• 이성체 SMILES: CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4
• 분자량: 519.56
• Reaxy-Rn: 20623321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20623321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Triazolopyridazines Phenol ethers Phenoxy compounds Alkyl aryl ethers N-alkylpiperazines Imidolactams Pyridazines and derivatives Acetamides Heteroaromatic compounds Tertiary carboxylic acid amides Triazoles Trialkylamines Amino acids and derivatives Amidrazones Azacyclic compounds Amidines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Triazolopyridazine - Phenol ether - Phenoxy compound - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Imidolactam - Benzenoid - Piperazine - Pyridazine - Heteroaromatic compound - Azole - Acetamide - Tertiary carboxylic acid amide - 1,2,4-triazole - Carboxylic acid amidrazone - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Amidine - Azacycle - Ether - Carboxylic acid derivative - Alkyl fluoride - Alkyl halide - Organohalogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• External Descriptors: Not available

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Canis familiaris (36305 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

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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

Plasma (328 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: 25°C: DMSO
• 분자량: 519.600 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 519.257 Da
• Monoisotopic Mass: 519.257 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 805.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1