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NX-1607

CAT: 1568-C01978-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01978-02Size:25 mg
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CAS Number
2573775-59-2
Synonyms
Cbl-b-IN-3
SKU
C01978-5mg
Target
E3 Ligase
Applications
Ubiquitin
Additionnal Information
NX-1607 (Cbl-b-IN-3) is an oral inhibitor of Casitas B-lineage lymphoma proto-oncogene B (CBL-B), which is an E3 ubiquitin ligase and a key regulator of T, NK, and dendritic cell activation and suppresses their anti-tumor functions. NX-1607 enhances antigen recall, reduces T cell exhaustion, and increases cytokine production in response to T cell receptor stimulation, thereby counteracting suppressive signals from the tumor microenvironment.

Chemical Information

Cbl-b-IN-3
CAS Number2573775-59-2
PubChem CID155449671
IUPAC Name2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one
Molecular FormulaC30H34F3N5O
Molecular Weight537.6
XLogP5.1
Topological Polar Surface Area54.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity894
SMILES
C[C@H]1CCCN(C1)CC2=CC3=C(CN(C3=O)C4=CC=CC(=C4)C5(CC(C5)C)C6=NN=CN6C)C(=C2)C(F)(F)F
InChI
InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20?,29?/m0/s1
InChIKey
HUOLMBXGHHSYHC-QORSJFMISA-N
Chemical Structure
2D Structure
2D structure of Cbl-b-IN-3
CAS: 2573775-59-2
CID: 155449671
Formula: C30H34F3N5O
MW: 537.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.6
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass537.27154521
Monoisotopic Mass537.27154521
Topological Polar Surface Area54.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity894
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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