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MLT-747

CAT: 1410-M13311-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M13311-01Size:1 Each
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Description
MLT-747 (MLT747) is a potent, selective, allosteric inhibitor of MALT1 paracaspase with IC50 of 14 nM; binds MALT1 in the allosteric Trp580 pocket.
CAS Number
2097853-86-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
478.334
Molecular Formula
C20H21Cl2N7O3
Notes
Research use only, not for human use.
Receptor
Caspase

Chemical Information

1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(pyrrolidine-1-carbonyl)-3-pyridinyl]urea
CAS Number2097853-86-4
PubChem CID129117094
IUPAC Name1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(pyrrolidine-1-carbonyl)-3-pyridinyl]urea
Molecular FormulaC20H21Cl2N7O3
Molecular Weight478.3
XLogP1.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity684
SMILES
C[C@@H](C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=C(N=C3)C(=O)N4CCCC4)Cl)OC
InChI
InChI=1S/C20H21Cl2N7O3/c1-11(32-2)18-14(10-23-16-8-15(22)27-29(16)18)26-20(31)25-12-7-13(21)17(24-9-12)19(30)28-5-3-4-6-28/h7-11H,3-6H2,1-2H3,(H2,25,26,31)/t11-/m0/s1
InChIKey
OJTGJRAKRGEDPI-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(pyrrolidine-1-carbonyl)-3-pyridinyl]urea
CAS: 2097853-86-4
CID: 129117094
Formula: C20H21Cl2N7O3
MW: 478.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.3
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass477.1082929
Monoisotopic Mass477.1082929
Topological Polar Surface Area114 Ų
Heavy Atom Count32
Formal Charge0
Complexity684
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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