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ML-792

CAT: 0804-HY-108702-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108702-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML-792 is a potent and selective inhibitor of SAE/SUMO1 and SAE/SUMO2 in enzymatic assays (IC50 values of 3 and 11 nM, respectively) compared with NAE/NEDD8 and UAE/ubiquitin (IC50> values of 32 μM and >100 μM, respectively) [1].
CAS Number
1644342-14-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
E1/E2/E3 Enzyme
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ml-792.html
Purity
99.76
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(OC[C@@H]1[C@@H](O)C[C@H](NC2=NC=NC=C2C(C3=NN(CC4=CC=CC(Br)=C4)C=C3)=O)C1)(N)=O
Molecular Formula
C21H23BrN6O5S
Molecular Weight
551.41
Precautions
H302, H315, H319, H335
References & Citations
[1]He X, et al. Probing the roles of SUMOylation in cancer cell biology by using a selective SAE inhibitor. Nat Chem Biol. 2017 Nov;13 (11) :1164-1171.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

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

ML-792 is an EC 2.3.2.* (aminoacyltransferase) inhibitor.

CAS Number1644342-14-2
PubChem CID86566743
IUPAC Name[(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
Molecular FormulaC21H23BrN6O5S
Molecular Weight551.4
XLogP2.3
Topological Polar Surface Area171
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity801
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
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
Chemical Structure
2D Structure
2D structure of sulfamic acid, ((1R,2S,4R)-4-((5-((1-((3-bromophenyl)methyl)-1H-pyrazol-3-yl)carbonyl)-4-pyrimidinyl)amino)-2-hydroxycyclopentyl)methyl ester
CAS: 1644342-14-2
CID: 86566743
Formula: C21H23BrN6O5S
MW: 551.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.4
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass550.06340
Monoisotopic Mass550.06340
Topological Polar Surface Area171 Ų
Heavy Atom Count34
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA7370-5ML-792
BM171106-01ML 792
A16832-5ML-792 5mg
A16832-2ML-792 2mg
A16832-100ML-792 100mg
A16832-25ML-792 25mg
A16832-10ML-792 10mg
A16832-50ML-792 50mg
A16832-1ML-792 1mg
A16832-10mM-DML-792 10mM * 1mL in DMSO

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