BAY 598 - Moligand™, ≥98%(HPLC) , Inhibitor of SET and MYND domain containing 2, CAS No.1906919-67-2, Inhibitor of SET and MYND domain containing 2

Name: BAY 598 - Moligand™, ≥98%(HPLC) , Inhibitor of SET and MYND domain containing 2, CAS No.1906919-67-2, Inhibitor of SET and MYND domain containing 2
Brand: Aladdin Scientific
SKU: B288058
Availability: InStock

CAS: 1906919-67-2 Cat. No.: B288058 분자식: C₂₂H₂₀Cl₂F₂N₆O₃ 분자량: 525.34

COA

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BAY 598 - Moligand™, ≥98%(HPLC) CAS No(1906919-67-2) by Aladdin Scientific

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주문 가능

등급 & 순도 Moligand™ ? ≥98%(HPLC)

Synonyms

N-[(4S)-1-[(Cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide | (S,Z)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양 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

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이 등급을 선택하는 이유

Moligand™, ≥98%(HPLC) Moligand™ 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

🌡

보관 및 배송

Store at -20°C Ice chest + Ice pads 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

사양 및 순도

Moligand™, ≥98%(HPLC)

생화학 및 생리적 메커니즘

Potent and selective competitive inhibitor of SMYD2 lysine methyltransferase (IC50values are 27 and 58 nM for biochemical and cellular activity assays, respectively). Displays >100-fold selectivity for SMYD2 over a panel of 32 other methyltransferases inc

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of SET and MYND domain containing 2

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

528763393

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763393

정식 스마일

CCN(C1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO

IUPAC Name

N-[(4S)-2-[N-cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide

InChIKey

OTTJIRVZJJGFTK-SFHVURJKSA-N

INCHI

1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1

이성체 SMILES

CCN([C@H]1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO

분자량

525.34

Reaxy-Rn

35620749

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35620749&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 Benzenoids
  - 분류 Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Phenol ethers Phenoxy compounds Aryl chlorides Tertiary carboxylic acid amides Pyrazolines Guanidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Imines Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Primary alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Aryl chloride - Aryl halide - Pyrazoline - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Primary alcohol - Alkyl halide - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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)

SMYD2 Tchem N-lysine methyltransferase SMYD2 (5 Activities)

Discover Target: SMYD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 Activities)

Discover Target: DNMT1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

F2R Tclin Proteinase-activated receptor 1 (1799 Activities)

Discover Target: F2R

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

U2OS (164939 Activities)

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

A2780 (11979 Activities)

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

KYSE-150 cell line (174 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

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

SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 Activities)

Discover Target: SETD7

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

PRMT1 Tchem Protein-arginine N-methyltransferase 1 (867 Activities)

Discover Target: PRMT1

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

PRMT3 Tchem Protein arginine N-methyltransferase 3 (219 Activities)

Discover Target: PRMT3

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

EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 Activities)

Discover Target: EHMT1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

PRMT6 Tchem Protein arginine N-methyltransferase 6 (321 Activities)

Discover Target: PRMT6

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

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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

PRMT5 Tchem Protein arginine N-methyltransferase 5 (1273 Activities)

Discover Target: PRMT5

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

DOT1L Tchem Histone-lysine N-methyltransferase, H3 lysine-79 specific (648 Activities)

Discover Target: DOT1L

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

SUV39H1 Tchem Histone-lysine N-methyltransferase SUV39H1 (101 Activities)

Discover Target: SUV39H1

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

KMT5A Tchem N-lysine methyltransferase SETD8 (202 Activities)

Discover Target: KMT5A

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

SUV39H2 Tchem Histone-lysine N-methyltransferase SUV39H2 (524 Activities)

Discover Target: SUV39H2

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

SMYD2 Tchem N-lysine methyltransferase SMYD2 (395 Activities)

Discover Target: SMYD2

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

EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (2012 Activities)

Discover Target: EZH2

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

KMT2C Tbio Histone-lysine N-methyltransferase MLL3 (36 Activities)

Discover Target: KMT2C

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

SMYD3 Tchem Histone-lysine N-methyltransferase SMYD3 (260 Activities)

Discover Target: SMYD3

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

KMT5C Tchem Histone-lysine N-methyltransferase SUV420H2 (49 Activities)

Discover Target: KMT5C

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

KMT5B Tchem Histone-lysine N-methyltransferase SUV420H1 (49 Activities)

Discover Target: KMT5B

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

SETDB1 Tbio Histone-lysine N-methyltransferase SETDB1 (88 Activities)

Discover Target: SETDB1

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

NSD2 Tchem Histone-lysine N-methyltransferase NSD2 (803 Activities)

Discover Target: NSD2

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

NSD3 Tchem Histone-lysine N-methyltransferase NSD3 (55 Activities)

Discover Target: NSD3

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

SETD2 Tchem Histone-lysine N-methyltransferase SETD2 (119 Activities)

Discover Target: SETD2

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

PRMT8 Tchem Protein arginine N-methyltransferase 8 (122 Activities)

Discover Target: PRMT8

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

DNMT3A Tclin DNMT3A2/3L complex (48 Activities)

Discover Target: DNMT3A

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

PRMT7 Tchem Protein arginine N-methyltransferase 7 (86 Activities)

Discover Target: PRMT7

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

PRDM9 Tbio Histone-lysine N-methyltransferase PRDM9 (46 Activities)

Discover Target: PRDM9

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

NSD1 Tbio Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific (52 Activities)

Discover Target: NSD1

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

ASH1L Tbio Histone-lysine N-methyltransferase ASH1L (468 Activities)

Discover Target: ASH1L

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

BCDIN3D Tbio Pre-miRNA 5'-monophosphate methyltransferase (12 Activities)

Discover Target: BCDIN3D

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

METTL21A Tbio Protein N-lysine methyltransferase METTL21A (29 Activities)

Discover Target: METTL21A

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

VCPKMT Tbio Protein-lysine methyltransferase METTL21D (26 Activities)

Discover Target: VCPKMT

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

HEK-293T (167025 Activities)

Explore this target

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

DNMT3B Tchem DNMT3B-DNMT3L complex (25 Activities)

Discover Target: DNMT3B

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

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Reconstitution Calculator

리뷰

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당사의 등급 선택 가이드는 카탈로그의 모든 변형 제품에 대해 순도, 안정제 상태 및 용도 적합성을 다룹니다.

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Lot Number	Certificate Type	날짜	항목
L2406082	Certificate of Analysis	Dec 12, 2024	B288058
J2119233	Certificate of Analysis	Aug 09, 2024	B288058
J2119236	Certificate of Analysis	Aug 09, 2024	B288058
J2119237	Certificate of Analysis	Aug 09, 2024	B288058

용해성	Solvent:DMSO, Max Conc. mg/mL: 52.53, Max Conc. mM: 100
분자량	525.300 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	524.094 Da
Monoisotopic Mass	524.094 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	854.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

BAY 598 - Moligand™, ≥98%(HPLC) , Inhibitor of SET and MYND domain containing 2, CAS No.1906919-67-2, Inhibitor of SET and MYND domain containing 2

보관 및 배송

품질 문서

문헌적 근거

사양

문서

📋 안전 데이터 시트(SDS)

✅ 분석 성적서(COA)

📊 데이터시트

🔬 사양서

고급 데이터

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

고객 리뷰

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