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(R) -MALT1-IN-7

CAT: 0931-T63133-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63133-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2178993-10-5
Target
Others, MALT
Related Pathways
Others, Immunology/Inflammation
Bioactivity
(R) -MALT1-IN-7 (compound 142a) is a potent MALT1 protease inhibitor with potential applications in cancer research.
Smiles
[C@@H](OC)(C)C1=C2C(=NC=C1NC(NC=3C=C(C(F)(F)F)C(=NC3)N4N=CC=N4)=O)SC(C)=N2
Molecular Formula
C19H17F3N8O2S
Molecular Weight
478.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-Malt1-IN-7
CAS Number2178993-10-5
PubChem CID163322017
IUPAC Name1-[7-[(1R)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
Molecular FormulaC19H17F3N8O2S
Molecular Weight478.5
XLogP2.8
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity686
SMILES
CC1=NC2=C(C(=CN=C2S1)NC(=O)NC3=CC(=C(N=C3)N4N=CC=N4)C(F)(F)F)[C@@H](C)OC
InChI
InChI=1S/C19H17F3N8O2S/c1-9(32-3)14-13(8-24-17-15(14)27-10(2)33-17)29-18(31)28-11-6-12(19(20,21)22)16(23-7-11)30-25-4-5-26-30/h4-9H,1-3H3,(H2,28,29,31)/t9-/m1/s1
InChIKey
UVUPDKHEDALPJC-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of (R)-Malt1-IN-7
CAS: 2178993-10-5
CID: 163322017
Formula: C19H17F3N8O2S
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass478.11472747
Monoisotopic Mass478.11472747
Topological Polar Surface Area148 Ų
Heavy Atom Count33
Formal Charge0
Complexity686
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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