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ML 792

CAT: 1410-M12506-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M12506-01Size:2 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, seletive SUMO-activating enzyme (SAE) inhibitor with IC50 of 3 nM and 11 nM for SAE/SUMO1 and SAE/SUMO2, respectively.
CAS Number
1644342-14-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
551.416
Molecular Formula
C21H23BrN6O5S
Notes
Research use only, not for human use.
Receptor
E1

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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