Benziodarone - ≥98% , Calmodulin inhibitor, CAS No.68-90-6, Calmodulin inhibitor

Name: Benziodarone - ≥98% , Calmodulin inhibitor, CAS No.68-90-6, Calmodulin inhibitor
Brand: Aladdin Scientific
SKU: B353543
Availability: InStock

CAS: 68-90-6 Cat. No.: B353543 분자식: C₁₇H₁₂I₂O₃ 분자량: 518.09 EC 번호: 200-695-2

COA

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Benziodarone - ≥98% CAS No(68-90-6) by Aladdin Scientific

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주문 가능

등급 & 순도 ≥98%

Synonyms

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

개요 사양 제품 특성 이름과 식별자 문서 고급 데이터 Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 자주 묻는 질문과 기사 솔루션 계산기 리뷰

🧪

이 등급을 선택하는 이유

≥98% 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

🌡

보관 및 배송

Store at 2-8°C,Protected from light Wet ice 출고. 정확한 사양은 로트별 COA를 확인하세요.

📋

품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

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문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

개요

Benziodarone is a vasodilator that acts as an amiodarone-like action.

사양

동의어

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

작동 메커니즘

Calmodulin inhibitor

순수함

≥98%

제품 특성

ALogP

5.6

이름과 식별자

Pubchem Sid

528775360

정식 스마일

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I

IUPAC Name

(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone

InChIKey

CZCHIEJNWPNBDE-UHFFFAOYSA-N

INCHI

1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3

이성체 SMILES

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I

분자량

518.09

Reaxy-Rn

1257683

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1257683&ln=

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

로트별 품질 데이터. 로트 번호를 입력하여 정확한 COA를 확인하세요.

COA 조회 →

📊 데이터시트

제품 사양 및 응용 분야에 대한 빠른 참조 요약.

데이터시트 보기 →

🔬 사양서

이 등급의 전체 품질 특성 및 합격 기준.

사양서 보기 →

고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 분류 Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Aryl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
분류	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Aryl-phenylketones
Alternative Parents	Benzofurans O-iodophenols Benzoyl derivatives 3-aroylfurans Iodobenzenes Aryl iodides Heteroaromatic compounds Oxacyclic compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl-phenylketone - Benzofuran - 3-aroylfuran - Benzoyl - 2-iodophenol - 2-halophenol - Phenol - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors	Not available
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

3D 구조

관련 대상(인간)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Homo sapiens (32628 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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BIRC5 Tchem Baculoviral IAP repeat-containing protein 5 (144 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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리뷰

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Lot Number	Certificate Type	날짜	항목
J2417398	Certificate of Analysis	Sep 12, 2024	B353543
J2417399	Certificate of Analysis	Sep 12, 2024	B353543
J2417400	Certificate of Analysis	Sep 12, 2024	B353543
J2417411	Certificate of Analysis	Sep 12, 2024	B353543

용해성	soluble in acetone, chloroform
감도	Light sensitive
녹는점(°C)	160-164° C (dec.)
분자량	518.080 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	517.888 Da
Monoisotopic Mass	517.888 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	405.000
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