CAS 2230821-27-7

Gefitinib-based PROTAC 3

Description:

Gefitinib-based PROTAC 3 is a chemical compound designed as a proteolysis-targeting chimera (PROTAC) that utilizes gefitinib, an epidermal growth factor receptor (EGFR) inhibitor, as a ligand to selectively degrade target proteins. This compound is characterized by its dual functionality: it binds to the target protein of interest and recruits an E3 ubiquitin ligase, facilitating the ubiquitination and subsequent proteasomal degradation of the target. The structure of Gefitinib-based PROTAC 3 typically includes a linker that connects the gefitinib moiety to the E3 ligase ligand, which is crucial for its activity. The compound is primarily investigated for its potential in cancer therapy, particularly in cases where resistance to traditional EGFR inhibitors occurs. Its mechanism of action allows for the selective degradation of oncogenic proteins, potentially leading to improved therapeutic outcomes. As a relatively novel approach in targeted protein degradation, Gefitinib-based PROTAC 3 represents a significant advancement in the development of targeted cancer therapies.

Formula: C₄₇H₅₇ClFN₇O₈S

InChI: InChI=1S/C47H57ClFN7O8S/c1-29-42(65-28-53-29)31-11-9-30(10-12-31)25-50-45(59)38-22-33(57)26-56(38)46(60)43(47(2,3)4)55-41(58)15-18-63-20-19-62-16-7-6-8-17-64-40-23-34-37(24-39(40)61-5)51-27-52-44(34)54-32-13-14-36(49)35(48)21-32/h9-14,21,23-24,27-28,33,38,43,57H,6-8,15-20,22,25-26H2,1-5H3,(H,50,59)(H,55,58)(H,51,52,54)/t33-,38+,43-/m1/s1

InChI key: NICKHWYZMNLEPJ-TZSMONEZSA-N

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)CCOCCOCCCCCOC4=C(C=C5C(=C4)C(=NC=N5)NC6=CC(=C(C=C6)F)Cl)OC)O

Synonyms:

• Gefitinib-based PROTAC 3
• NTN21277
• NTN21277(Gefitinib-based PROTAC 3)

Gefitinib-Based PROTAC 3

CAS: 2230821-27-7

Gefitinib-Based PROTAC 3

Formula: C₄₇H₅₇ClFN₇O₈S

Purity: 99%

Molecular weight: 934.51398

Ref: 54-BISN0057

Gefitinib-Based PROTAC 3

CAS: 2230821-27-7

Formula: C₄₇H₅₇ClFN₇O₈S

Purity: 99%

Color and Shape: Solid

Molecular weight: 934.5140

Ref: IN-DA01JK78

Gefitinib-based PROTAC 3

CAS: 2230821-27-7

Gefitinib-based PROTAC 3

Formula: C₄₇H₅₇ClFN₇O₈S

Purity: ≥95%

Molecular weight: 934.51

Ref: 54-BUP09892

Gefitinib-based PROTAC 3

CAS: 2230821-27-7

Gefitinib-PROTAC 3 degrades EGFR in cancer cells; DC50s: 11.7 nM (HCC827) and 22.3 nM (H3255).

Formula: C₄₇H₅₇ClFN₇O₈S

Purity: 98.25% - 99.78%

Color and Shape: Solid

Molecular weight: 934.514

Ref: TM-T5437

Gefitinib-based PROTAC 3

CAS: 2230821-27-7

Purity: 98%

Molecular weight: 934.52

Ref: 10-F986380

Gefitinib-based PROTAC 3

CAS: 2230821-27-7

(2S,4R)-1-((S)-2-(3-(2-((5-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)pentyl)oxy)ethoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

Formula: C₄₇H₅₇ClFN₇O₈S

Purity: 99%

Molecular weight: 934.51

Ref: IN-DG00774997