2-(4-((4R,5S)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)-2-oxopiperazin-1-yl)-N-(1-(4-((4S,5R)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)-2-oxopiperazin-1-yl)-2-oxo-6,9,12-trioxa-3-azatetradecan-14-yl)acetamide

ID: ALA5273773

Chembl Id: CHEMBL5273773

Max Phase: Preclinical

Molecular Formula: C76H88Cl4N10O11

Molecular Weight: 1459.41

Names and Identifiers

Canonical SMILES:  CCOc1cc(C(C)(C)C)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(c4ccc(C(C)(C)C)cc4OCC)=N[C@H](c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)CC2=O)C(=O)C1

Standard InChI:  InChI=1S/C76H88Cl4N10O11/c1-9-100-61-43-53(75(3,4)5)19-29-59(61)71-83-67(49-11-21-55(77)22-12-49)69(51-15-25-57(79)26-16-51)89(71)73(95)87-35-33-85(65(93)47-87)45-63(91)81-31-37-97-39-41-99-42-40-98-38-32-82-64(92)46-86-34-36-88(48-66(86)94)74(96)90-70(52-17-27-58(80)28-18-52)68(50-13-23-56(78)24-14-50)84-72(90)60-30-20-54(76(6,7)8)44-62(60)101-10-2/h11-30,43-44,67-70H,9-10,31-42,45-48H2,1-8H3,(H,81,91)(H,82,92)/t67-,68+,69+,70-

Standard InChI Key:  BYXQFJDQDXLTHH-JMEZDKBESA-N

Alternative Forms

1. Parent:

   

   ALA5273773

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1459.41

Molecular Weight (Monoisotopic): 1456.5388

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References

1. Yan J, Li T, Miao Z, Wang P, Sheng C, Zhuang C..  (2022)  Homobivalent, Trivalent, and Covalent PROTACs: Emerging Strategies for Protein Degradation.,  65  (13.0): [PMID:35763424] [10.1021/acs.jmedchem.2c00728]

Source

Source(1):

• Scientific Literature