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ML-792

CAT: 0607-BA7370-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7370-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1644342-14-2
Form
A solid
Molecular Formula
C21H23BrN6O5S
Molecular Weight
551.41
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

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
BM171106-01ML 792
MBS3841811-01ML-792
A16832-5ML-792 5mg
A16832-2ML-792 2mg
A16832-100ML-792 100mg
A16832-25ML-792 25mg
A16832-10ML-792 10mg
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A16832-1ML-792 1mg
A16832-10mM-DML-792 10mM * 1mL in DMSO

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