Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Why this grade
Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
개요
ML299 is a selective allosteric modulator and a dual inhibitor of phospholipases D1 and D2 (IC50 values are 6 and 12 nM, respectively). ML299 decreases invasive migration in U87-MG glioblastoma cells
Specifications
동의어
VU0463568
사양 및 순도
Moligand™, ≥95%
생화학 및 생리적 메커니즘
ML299 (VU0463568) is a dual inhibitor of PLD1 and PLD2 with IC50 of 6 nM and 20 nM, respectively.
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
순수함
≥95%
이름과 식별자
| 정식 스마일 | CC(CN1CCC2(CC1)C(=O)NCN2C3=CC(=CC=C3)F)NC(=O)C4=CC=C(C=C4)Br |
|---|---|
| IUPAC Name | 4-bromo-N-[(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]benzamide |
| InChIKey | RFKXAYJUFUZBMA-INIZCTEOSA-N |
| INCHI | 1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1 |
| 이성체 SMILES | C[C@@H](CN1CCC2(CC1)C(=O)NCN2C3=CC(=CC=C3)F)NC(=O)C4=CC=C(C=C4)Br |
| PubChem CID | 56593054 |
| 분자량 | 489.38 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- 분류 Azolidines
- Subclass Imidazolidines
- 분류 Azolidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 분류 | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylimidazolidines |
| Alternative Parents | 4-halobenzoic acids and derivatives Alpha amino acids and derivatives Azaspirodecane derivatives Benzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Fluorobenzenes Bromobenzenes Piperidines Imidazolidinones Aryl bromides Aryl fluorides Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylimidazolidine - Alpha-amino acid or derivatives - Azaspirodecane - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Fluorobenzene - Halobenzene - Benzenoid - Imidazolidinone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Piperidine - Lactam - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Carbonyl group - Amine - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| 설명 | This 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)
PLD1 Tchem Phospholipase D1 (1 Activities)
PLD2 Tchem Phospholipase D2 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
PLD1 Tchem Phospholipase D1 (469 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PLD2 Tchem Phospholipase D2 (437 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay 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
| 분자량 | 489.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 488.122 Da |
| Monoisotopic Mass | 488.122 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 649.000 |
| 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 |
솔루션 계산기
리뷰
고객 리뷰
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →Remind me later
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.