MK-8745 - 10mM in DMSO , CAS No.885325-71-3

CAS: 885325-71-3 Cat. No.: M426682 분자식: C20H19ClFN5OS 분자량: 431.91
주문 가능
등급 & 순도 10mM in DMSO
Synonyms
(3-Chloro-2-fluorophenyl)[4-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-1-piperazinyl]-methanone | 1-(3-Chloro-2-fluorobenzoyl)-4-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-piperazine | 6-[[4-(3-Chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-N-(thiazol-2-yl
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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수량
1ml
M426682-1ml
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이 등급을 선택하는 이유

10mM in DMSO 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

🌡

보관 및 배송

Store at -80°C Dry ice packs + Cold packs 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.

사양

동의어
(3-Chloro-2-fluorophenyl)[4-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-1-piperazinyl]-methanone | 1-(3-Chloro-2-fluorobenzoyl)-4-[[6-(2-thiazolylamino)-2-pyridinyl]methyl]-piperazine | 6-[[4-(3-Chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-N-(thiazol-2-yl
사양 및 순도
10mM in DMSO
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
이름과 식별자
Pubchem Sid
정식 스마일
C1CN(CCN1CC2=NC(=CC=C2)NC3=NC=CS3)C(=O)C4=C(C(=CC=C4)Cl)F
IUPAC Name
(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]piperazin-1-yl]methanone
InChIKey
YCRFPWKUUNKNDN-UHFFFAOYSA-N
INCHI
1S/C20H19ClFN5OS/c21-16-5-2-4-15(18(16)22)19(28)27-10-8-26(9-11-27)13-14-3-1-6-17(24-14)25-20-23-7-12-29-20/h1-7,12H,8-11,13H2,(H,23,24,25)
이성체 SMILES
C1CN(CCN1CC2=NC(=CC=C2)NC3=NC=CS3)C(=O)C4=C(C(=CC=C4)Cl)F
분자량
431.91
Reaxy-Rn
11333421
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11333421&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

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct Parent3-halobenzoic acids and derivatives
Alternative Parents 2-halobenzoic acids and derivatives  6-substituted-2-pyridinylmethylamines  Benzamides  Benzoyl derivatives  Aminopyridines and derivatives  Aralkylamines  Chlorobenzenes  N-alkylpiperazines  Fluorobenzenes  2-amino-1,3-thiazoles  Aryl chlorides  Aryl fluorides  Imidolactams  Vinylogous halides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Trialkylamines  Amino acids and derivatives  Azacyclic compounds  Organochlorides  Organofluorides  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 6-substituted-2-pyridinylmethylamine - Benzamide - 2-pyridylmethylamine - Benzoyl - Halobenzene - Fluorobenzene - Aminopyridine - N-alkylpiperazine - Chlorobenzene - Aralkylamine - Imidolactam - Piperazine - 1,4-diazinane - Pyridine - Aryl chloride - 1,3-thiazol-2-amine - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organochloride - Organic nitrogen compound - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
녹는점(°C)238.52° C (Predicted)
분자량431.900 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass431.098 Da
Monoisotopic Mass431.098 Da
Topological Polar Surface Area89.600 Ų
Heavy Atom Count29
Formal Charge0
Complexity553.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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