ML298 - ≥98% , CAS No.1426916-02-0

CAS: 1426916-02-0 Cat. No.: M412942 분자식: C22H23F3N4O2 분자량: 432.44
주문 가능
등급 & 순도 ≥98%
Synonyms
CID53393915
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
크기
USA
독일 (EU)*
가격
수량
5mg
M412942-5mg
주문제작 · 8~12주
US$139.90
10mg
M412942-10mg
주문제작 · 8~12주
US$199.90
25mg
M412942-25mg
주문제작 · 8~12주
US$399.90
50mg
M412942-50mg
주문제작 · 8~12주
US$639.90
100mg
M412942-100mg
주문제작 · 8~12주
US$999.90
Enter a quantity for the sizes you want to add.
🧪
이 등급을 선택하는 이유

≥98% 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.

📚

문헌적 근거

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

개요

Information

ML298 (CID53393915) is a potent, specific inhibitor of Phospholipase D2 (PLD2) with IC50 of 355 nM.

사양

동의어
CID53393915
사양 및 순도
≥98%
생화학 및 생리적 메커니즘
ML298 (CID53393915) is a potent, specific inhibitor of Phospholipase D2 (PLD2) with IC50 of 355 nM.
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.
작업 유형
INHIBITOR
순수함
≥98%
이름과 식별자
정식 스마일
C1CN(CCC12C(=O)NCN2C3=CC(=CC=C3)F)CCNC(=O)C4=CC(=C(C=C4)F)F
IUPAC Name
3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
InChIKey
XAPVAKKLQGLNOY-UHFFFAOYSA-N
INCHI
1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31)
이성체 SMILES
C1CN(CCC12C(=O)NCN2C3=CC(=CC=C3)F)CCNC(=O)C4=CC(=C(C=C4)F)F
WGK 독일
3
분자량
432.44
Reaxy-Rn
23527779
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23527779&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
SuperclassOrganoheterocyclic compounds
분류Azolidines
SubclassImidazolidines
Intermediate Tree Nodes Not available
Direct ParentPhenylimidazolidines
Alternative Parents 3-halobenzoic acids and derivatives  4-halobenzoic acids and derivatives  Alpha amino acids and derivatives  Azaspirodecane derivatives  Benzamides  Dialkylarylamines  Aniline and substituted anilines  Benzoyl derivatives  Fluorobenzenes  Piperidines  Imidazolidinones  Aryl fluorides  Trialkylamines  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylimidazolidine - Alpha-amino acid or derivatives - Azaspirodecane - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Dialkylarylamine - Fluorobenzene - Halobenzene - Imidazolidinone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Piperidine - Carboxamide group - Lactam - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Carbonyl group - Amine - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
PLD2 Tchem Phospholipase D2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLD1 Tchem Phospholipase D1 (469 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLD2 Tchem Phospholipase D2 (437 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 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
용해성DMSO: 9 mg/mL (20.81 mM)
분자량432.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass432.177 Da
Monoisotopic Mass432.177 Da
Topological Polar Surface Area64.700 Ų
Heavy Atom Count31
Formal Charge0
Complexity659.000
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
솔루션 계산기
리뷰

고객 리뷰

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.