Products for Research Use Only

GMB-475

CAT: 0013-GTR19166002-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166002-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GMB-475 is a PROTAC-based degrader that recruits the VHL E3 ligase to ubiquitinate and eliminate the BCR-ABL1 oncoprotein, overcoming kinase inhibitor resistance. It is a research tool for investigating targeted protein degradation in models of chronic myeloid leukemia (CML), both in cellular and preclinical in vivo studies.
CAS Number
2490599-18-1
Product Name Alternative
PROTACs, GMB 475, GMB475, GMB-475, Inhibitor, inhibit, Apoptosis, Bcr-Abl1, Bcr-Abl, BcrAbl
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.78% (May vary between batches)
Solubility
DMSO:245 mg/mL (284.25 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (5.8 mM)
Smiles
Cc1ncsc1-c1ccc (CNC (=O) [C@@H]2C[C@@H] (O) CN2C (=O) [C@@H] (NC (=O) COCCOc2ccc (cc2) -c2cc (Nc3ccc (OC (F) (F) F) cc3) ncn2) C (C) (C) C) cc1
Molecular Formula
C43H46F3N7O7S
Molecular Weight
861.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,4R)-1-((S)-3,3-dimethyl-2-(2-(2-(4-(6-((4-(trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)phenoxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS Number2490599-18-1
PubChem CID139600282
IUPAC Name(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC43H46F3N7O7S
Molecular Weight861.9
XLogP6.9
Topological Polar Surface Area205
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Heavy Atom Count61
Formal Charge0
Complexity1410
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOC4=CC=C(C=C4)C5=CC(=NC=N5)NC6=CC=C(C=C6)OC(F)(F)F)O
InChI
InChI=1S/C43H46F3N7O7S/c1-26-38(61-25-50-26)29-7-5-27(6-8-29)21-47-40(56)35-19-31(54)22-53(35)41(57)39(42(2,3)4)52-37(55)23-58-17-18-59-32-13-9-28(10-14-32)34-20-36(49-24-48-34)51-30-11-15-33(16-12-30)60-43(44,45)46/h5-16,20,24-25,31,35,39,54H,17-19,21-23H2,1-4H3,(H,47,56)(H,52,55)(H,48,49,51)/t31-,35+,39-/m1/s1
InChIKey
ONDVWISBMHHLGZ-SBJIGXGQSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-1-((S)-3,3-dimethyl-2-(2-(2-(4-(6-((4-(trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)phenoxy)ethoxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS: 2490599-18-1
CID: 139600282
Formula: C43H46F3N7O7S
MW: 861.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight861.9
XLogP36.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Exact Mass861.31315249
Monoisotopic Mass861.31315249
Topological Polar Surface Area205 Ų
Heavy Atom Count61
Formal Charge0
Complexity1410
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