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MLT-231

CAT: 0013-GTR19213363Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213363Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MLT-231 is a potent, highly selective allosteric MALT1 with an IC50 of 9 nM. MLT-231 specifically prevents endogenous BCL10 cleavage with IC50 of 160 nM. MLT-231 shows antitumor activity in an ABC-DLBCL type xenograft model in mouse.
CAS Number
2682102-10-7
Purity
>98%
Smiles
O=C (NC1=C (N2[C@@H] (C) COC[C@@H]2C) N3C (N=C1) =CC (Cl) =N3) NC4=CC=NC (C (F) (F) F) =C4
Molecular Formula
C19H19ClF3N7O2
Molecular Weight
469.85
Notes
For research use only.

Chemical Information

1-[2-chloro-7-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CAS Number2682102-10-7
PubChem CID146680905
IUPAC Name1-[2-chloro-7-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
Molecular FormulaC19H19ClF3N7O2
Molecular Weight469.8
XLogP2.6
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity665
SMILES
C[C@H]1COC[C@@H](N1C2=C(C=NC3=CC(=NN32)Cl)NC(=O)NC4=CC(=NC=C4)C(F)(F)F)C
InChI
InChI=1S/C19H19ClF3N7O2/c1-10-8-32-9-11(2)29(10)17-13(7-25-16-6-15(20)28-30(16)17)27-18(31)26-12-3-4-24-14(5-12)19(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H2,24,26,27,31)/t10-,11-/m0/s1
InChIKey
BFPCFGGFGQMJQG-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-chloro-7-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CAS: 2682102-10-7
CID: 146680905
Formula: C19H19ClF3N7O2
MW: 469.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.8
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass469.1240851
Monoisotopic Mass469.1240851
Topological Polar Surface Area96.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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