(2S,4R)-1-((S)-22-(tert-Butyl)-1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,20-dioxo-3-oxa-2,8,21-triazatricosan-23-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)-ethyl)pyrrolidine-2-carboxamide

ID: ALA4787502

Chembl Id: CHEMBL4787502

PubChem CID: 162504450

Max Phase: Preclinical

Molecular Formula: C52H69F3IN7O6S

Molecular Weight: 1104.13

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C52H69F3IN7O6S/c1-33(35-18-20-36(21-19-35)47-34(2)58-32-70-47)59-50(67)43-30-38(64)31-63(43)51(68)48(52(3,4)5)61-44(65)17-13-11-9-7-6-8-10-12-14-26-57-27-15-16-28-69-62-49(66)39-23-24-40(53)45(55)46(39)60-42-25-22-37(56)29-41(42)54/h18-25,29,32-33,38,43,48,57,60,64H,6-17,26-28,30-31H2,1-5H3,(H,59,67)(H,61,65)(H,62,66)/t33-,38+,43-,48+/m0/s1

Standard InChI Key:  DYLGPTDXXUWFMK-ARFQKLFXSA-N

Alternative Forms

1. Parent:

   

   ALA4787502

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1104.13

Molecular Weight (Monoisotopic): 1103.4027

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References

1. Hu J,Wei J,Yim H,Wang L,Xie L,Jin MS,Kabir M,Qin L,Chen X,Liu J,Jin J.  (2020)  Potent and Selective Mitogen-Activated Protein Kinase Kinase 1/2 (MEK1/2) Heterobifunctional Small-molecule Degraders.,  63  (24.0): [PMID:33284613] [10.1021/acs.jmedchem.0c01609]

Source

Source(1):

• Scientific Literature