- Advanced equipment and technique
- Experienced scientific team
- Highly reliable and reproducible result
- Data analysis, detailed report with results and discussion
- Quality one-stop service

SD-36 - CAS 2429877-44-9

Inquiry

SD-36 is a potent, selective, and efficacious PROTAC degrader of STAT3 protein. SD-36 exhibits nanomolar cell growth inhibitory activity in leukemia and lymphoma cell lines with high levels of phosphorylated STAT3.

* Please be kindly noted that our services and products can only be used for research to organizations or companies and not intended for any clinical or individuals.

Molecular Formula

C59H62F2N9O12P

Molecular Weight

1158.17

SD-36

- Specification
  - Purity
    
    ≥95%
    
    Solubility
    
    Soluble in DMSO
    
    Appearance
    
    Solid Powder
    
    Storage
    
    Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
    
    IUPAC Name
    
    [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid
    
    Synonyms
    
    Phosphonic acid, P-[[2-[[[(5S,8S,10aR)-8-[[[(1S)-4-amino-1-[[(diphenylmethyl)amino]carbonyl]-4-oxobutyl]amino]carbonyl]-3-[8-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]-1-oxo-7-octyn-1-yl]decahydro-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]amino]carbonyl]-1H-indol-5-yl]difluoromethyl]-; ((2-(((5S,8S,10aR)-8-(((S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-3-(8-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)oct-7-ynoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic acid; P-[[2-[[[(5S,8S,10aR)-8-[[[(1S)-4-Amino-1-[[(diphenylmethyl)amino]carbonyl]-4-oxobutyl]amino]carbonyl]-3-[8-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]-1-oxo-7-octyn-1-yl]decahydro-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]amino]carbonyl]-1H-indol-5-yl]difluoromethyl]phosphonic acid; SD 36; SD36
- Properties
  - Density
    
    1.50±0.1 g/cm3
    
    InChI Key
    
    JKCSCHXVWPSGBG-OPKPGBGESA-N
    
    InChI
    
    InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1
    
    Canonical SMILES
    
    C1CC(N2C1CCN(CC(C2=O)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)CCCCCC#CC5=C6CN(C(=O)C6=CC=C5)C7CCC(=O)NC7=O)C(=O)NC(CCC(=O)N)C(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9
- Reference Reading
  - 1. Structure-based discovery of SD-36 as a potent, selective, and efficacious PROTAC degrader of STAT3 protein.
    
    Zhou, H., Bai, L., Xu, R., Zhao, Y., Chen, J., McEachern, D., Chinnaswamy, K., Wen, B., Dai, L., Kumar, P. and Yang, C.Y., 2019. Journal of medicinal chemistry, 62(24), pp.11280-11300.
    
    Signal transducer and activator of transcription 3 (STAT3) is a transcription factor and an attractive therapeutic target for cancer and other human diseases. Despite 20 years of persistent research efforts, targeting STAT3 has been very challenging. We report herein the structure-based discovery of potent small-molecule STAT3 degraders based upon the proteolysis targeting chimera (PROTAC) concept. We first designed SI-109 as a potent, small-molecule inhibitor of the STAT3 SH2 domain. Employing ligands for cereblon/cullin 4A E3 ligase and SI-109, we obtained a series of potent PROTAC STAT3 degraders, exemplified by SD-36. SD-36 induces rapid STAT3 degradation at low nanomolar concentrations in cells and fails to degrade other STAT proteins. SD-36 achieves nanomolar cell growth inhibitory activity in leukemia and lymphoma cell lines with high levels of phosphorylated STAT3. A single dose of SD-36 results in complete STAT3 protein degradation in xenograft tumor tissue and normal mouse tissues. SD-36 achieves complete and long-lasting tumor regression in the Molm-16 xenograft tumor model at well-tolerated dose-schedules. SD-36 is a potent, selective, and efficacious STAT3 degrader.

Bio Calculators

Stock concentration: *

Desired final volume: *

Desired concentration: *

* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C₁V₁ = C₂V₂

Calculate

* Total Molecular Weight:

g/mol

Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳

Formula weight: *

g/mol

Desired final volume: *

Desired concentration: *