((3R,5S)-5-(5-(tert-butyldimethylsilyloxy)pentyl)-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

ID: ALA508587

Chembl Id: CHEMBL508587

PubChem CID: 44567303

Max Phase: Preclinical

Molecular Formula: C38H56N2O5Si

Molecular Weight: 648.96

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCCCCO[Si](C)(C)C(C)(C)C)CN(CCCc3ccccc3)C2)C1=O

Standard InChI:  InChI=1S/C38H56N2O5Si/c1-29-24-35(41)40(36(29)42)34-21-13-12-20-33(34)37(43)44-28-32-25-31(18-11-8-14-23-45-46(5,6)38(2,3)4)26-39(27-32)22-15-19-30-16-9-7-10-17-30/h7,9-10,12-13,16-17,20-21,29,31-32H,8,11,14-15,18-19,22-28H2,1-6H3/t29?,31-,32+/m0/s1

Standard InChI Key:  CKNXXBNBTNALCM-PFRPCOQVSA-N

Alternative Forms

1. Parent:

   

   ALA508587

   [(3R,5S)-5-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-1-(3-phenylpropyl)piperidin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 648.96

Molecular Weight (Monoisotopic): 648.3958

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References

1. Huang J, Orac CM, McKay S, McKay DB, Bergmeier SC..  (2008)  The synthesis of 5-substituted ring E analogs of methyllycaconitine via the Suzuki-Miyaura cross-coupling reaction.,  16  (7): [PMID:18272373] [10.1016/j.bmc.2008.01.050]

Source

Source(1):

• Scientific Literature