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ML792 - 99%, high purity , CAS No.1644342-14-2

COA

Grade & Purity:

≥99%

Cas Number: 1644342-14-2
Molecular Weight: 551.41
PubChem CID: 86566743

In stock

Item Number

M414120

Grouped product items
SKU	Size	Availability	Price
M414120-5mg	5mg	2	$187.90
M414120-10mg	10mg	2	$274.90
M414120-25mg	25mg	2	$432.90
M414120-50mg	50mg	1	$590.90

E1 Activating Inhibitors

View related series

Amino Acid/Protein Metabolism (1836) E1 Activating inhibitor (1) E1/E2/E3 Enzyme (112) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	Sulfamic acid,[(1R,2S,4R)-4-[[5-[[1-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	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.
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

HCT-116 (91556 Activities)

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

SAE1 Tbio SUMO-activating enzyme (861 Activities)

Discover Target: SAE1

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

UBA3 Tchem NEDD8 activating enzyme (447 Activities)

Discover Target: UBA3

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
INCHI	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
InChIKey	PZCKLTWSXFDLLP-OGWOLHLISA-N
Smiles	C1C(CC(C1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br
Isomeric 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
Molecular Weight	551.41

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
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

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 100 mg/mL (181.35 mM); Water: Insoluble; Ethanol: Insoluble;
Molecular Weight	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

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