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아지도핀

3-(2-((4-Azidobenzoyl)amino)ethyl) 5-ethyl 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylate

HCID 656406
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
90523-31-2
표준 SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(N=[N+]=[N-])cc2)C1c1ccccc1C(F)(F)F
InChIKey
SWMHKFTXBOJETC-UHFFFAOYSA-N
분자식
C27H26F3N5O5
평균 분자량
557.5 g/mol
단동위원소 질량
557.18860343

개요

Azidopine is a member of benzamides.

이름 및 식별자

우선 이름
3-(2-((4-Azidobenzoyl)amino)ethyl) 5-ethyl 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylate
IUPAC
5-O-[2-[(4-azidobenzoyl)amino]ethyl] 3-O-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
현지명
아지도핀
영어명
Azidopine
분자식
C27H26F3N5O5
분자량
0

이름 및 동의어

Azidopine90523-31-263XR70204A3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, 2-((4-azidobenzoyl)amino)ethyl ethyl esterO5-[2-[(4-azidobenzoyl)amino]ethyl] O3-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateO3-(2-((4-azidobenzoyl)amino)ethyl) O5-ethyl 2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylateO3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateO5-(2-((4-azidobenzoyl)amino)ethyl) O3-ethyl 2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:9108943-(2-((4-Azidobenzoyl)amino)ethyl) 5-ethyl 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylateNSC6179995-O-[2-[(4-azidobenzoyl)amino]ethyl] 3-O-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
이름 더 보기
아지도핀3-[2-[(4-Azidobenzoyl)amino]ethyl] 5-ethyl 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylate

물성

구조 계산 물성

XLogP
5.7
극성 표면적
108 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
11
회전 가능 결합 수
11
무거운 원자 수
40
형식 전하
0
복잡도
1,070

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids.

공급사3 곳

吉林中科研伸科技有限公司18143011203 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
1,4-Dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylic acid 3-[2-[(4-azidobenzoyl)amino]ethyl]5-ethyl ester
CHEMBL1993397NSC-617999AC1LCUW1UNII-63XR70204ADTXSID40920339SWMHKFTXBOJETC-UHFFFAOYSA-NAZIDOPINE [WHO-DD]CHEBI:2952

데이터베이스 식별자

CAS
90523-31-2
PubChem CID
656406
DTXSID
DTXSID40920339
ChEMBL
CHEMBL1993397
ChEBI
CHEBI:2952
UNII
63XR70204A
Nikkaji
J393.489F