Name: ML792 - ≥99% , CAS No.1644342-14-2
SKU: M414120
Availability: InStock

ML792 - ≥99% , CAS No.1644342-14-2

CAS: 1644342-14-2 Cat. No.: M414120 분자식: C₂₁H₂₃BrN₆O₅S 분자량: 551.41 PubChem CID: 86566743

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ML792 - ≥99% CAS No(1644342-14-2) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥99%

Synonyms

Sulfamic acid,[(1R,2S,4R)-4-[[5-[[1-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

SAE/SUMO1 (Cell-free assay); SAE/SUMO2 (Cell-free assay) 3 nM; 11 nM

In vitro

ML-792 is a mechanism-based SUMO-activating enzyme (SAE) inhibitor with nanomolar potency in cellular assays. ML-792 selectively blocks SAE enzyme activity and total SUMOylation, thus decreasing cancer cell proliferation. Induction of the MYC oncogene increases the ML-792-mediated viability effect in cancer cells, thus indicating a potential application of SAE inhibitors in treating MYC-amplified tumors.

Cell Research(from reference)

Cell lines：HCT116 cells

Concentrations：0.5 μM

Incubation Time：48 h

Specifications

동의어

Sulfamic acid,[(1R,2S,4R)-4-[[5-[[1-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

ML-792 is a potent and selective inhibitor of SUMO (small ubiquitin-like modifier)-activating enzyme (SAE). ML-792 inhibits SAE/SUMO1 and SAE/SUMO2 in ATP–inorganic pyrophosphate (PPi) exchange assays with IC50 of 3 nM and 11 nM, respectively.

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

Pubchem Sid

528765536

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765536

정식 스마일

C1C(CC(C1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br

IUPAC Name

[(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate

InChIKey

PZCKLTWSXFDLLP-OGWOLHLISA-N

INCHI

1S/C21H23BrN6O5S/c22-15-3-1-2-13(6-15)10-28-5-4-18(27-28)20(30)17-9-24-12-25-21(17)26-16-7-14(19(29)8-16)11-33-34(23,31)32/h1-6,9,12,14,16,19,29H,7-8,10-11H2,(H2,23,31,32)(H,24,25,26)/t14-,16-,19+/m1/s1

이성체 SMILES

C1[C@H](C[C@@H]([C@H]1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br

PubChem CID

86566743

분자량

551.41

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 →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 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 Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidinecarboxylic acids and derivatives
Alternative Parents	Aryl ketones Secondary alkylarylamines Bromobenzenes Imidolactams Cyclopentanols Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Organic sulfuric acids and derivatives Heteroaromatic compounds Enones Azoles Acryloyl compounds Cyclic alcohols and derivatives Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Hydrazones Carboximidamides Bromoalkenes Azacyclic compounds Amidines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-5-carboxylic acid or derivatives - Aryl ketone - Secondary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Imidolactam - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Cyclopentanol - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Organic sulfuric acid or derivatives - Enone - Cyclic alcohol - Azole - Acryloyl-group - Secondary alcohol - Ketone - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl bromide - Secondary amine - Hydrazone - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
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

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리뷰

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

Lot Number	Certificate Type	날짜	항목
G2614079	Certificate of Analysis	Jul 24, 2026	M414120
K2404425	Certificate of Analysis	Sep 12, 2024	M414120
K2404426	Certificate of Analysis	Sep 12, 2024	M414120
K2404427	Certificate of Analysis	Sep 12, 2024	M414120
K2404428	Certificate of Analysis	Sep 12, 2024	M414120
K2404519	Certificate of Analysis	Sep 12, 2024	M414120
K2404520	Certificate of Analysis	Sep 12, 2024	M414120
K2404521	Certificate of Analysis	Sep 12, 2024	M414120
K2404522	Certificate of Analysis	Sep 12, 2024	M414120

용해성	Solubility (25°C) In vitro DMSO: 100 mg/mL (181.35 mM); Water: Insoluble; Ethanol: Insoluble;
분자량	551.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	550.063 Da
Monoisotopic Mass	550.063 Da
Topological Polar Surface Area	171.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	801.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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