(1R,3R,4aS,4bR,6R,8R,8aS,10S,10aS)-10-(tert-butyldimethylsilyloxy)-1-(hydroxymethyl)-1,4a,6-trimethyl-8-(triethylsilyloxy)tetradecahydrophenanthren-3-ol

ID: ALA1939361

Chembl Id: CHEMBL1939361

PubChem CID: 45280035

Max Phase: Preclinical

Molecular Formula: C30H60O4Si2

Molecular Weight: 540.98

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@](C)(CO)C[C@H](O)C[C@@]21C

Standard InChI:  InChI=1S/C30H60O4Si2/c1-12-36(13-2,14-3)34-25-16-21(4)15-24-23(25)17-26(33-35(10,11)28(5,6)7)27-29(8,20-31)18-22(32)19-30(24,27)9/h21-27,31-32H,12-20H2,1-11H3/t21-,22+,23+,24-,25-,26+,27-,29+,30+/m1/s1

Standard InChI Key:  ZNEXGEMINOWQLM-QYLYAQENSA-N

Alternative Forms

1. Parent:

   

   ALA1939361

   (1R,3R,4aS,4bR,6R,8R,8aS,10S,10aS)-10-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-1,4a,6-trimethyl-8-triethylsilyloxy-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-3-ol

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: 540.98

Molecular Weight (Monoisotopic): 540.4030

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References

1. Yagi H, Chuman Y, Kozakai Y, Imagawa T, Takahashi Y, Yoshimura F, Tanino K, Sakaguchi K..  (2012)  A small molecule inhibitor of p53-inducible protein phosphatase PPM1D.,  22  (1): [PMID:22115592] [10.1016/j.bmcl.2011.10.084]

2. Kozakai Y, Kamada R, Kiyota Y, Yoshimura F, Tanino K, Sakaguchi K..  (2014)  Inhibition of C-terminal truncated PPM1D enhances the effect of doxorubicin on cell viability in human colorectal carcinoma cell line.,  24  (24): [PMID:25466181] [10.1016/j.bmcl.2014.10.093]

3. Ogasawara S, Kiyota Y, Chuman Y, Kowata A, Yoshimura F, Tanino K, Kamada R, Sakaguchi K..  (2015)  Novel inhibitors targeting PPM1D phosphatase potently suppress cancer cell proliferation.,  23  (19): [PMID:26358280] [10.1016/j.bmc.2015.08.042]

Source

Source(1):

• Scientific Literature