S63845
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MedKoo CAT#: 406849

CAS#: 1799633-27-4

Description: S63845 is a potent and selective MCL1 inhibitor (Ki (MCL1, FP) < 1.2 nM; Kd (MCL1, SPR) = 0.19 nM; Ki (BCL2, FP) > 10.000 1.2 nM; Ki (BCL-XL, FP) > 10.000 1.2 nM). S63845 specifically binds with high affinity to the BH3-binding groove of MCL1. S63845 potently kills MCL1-dependent cancer cells, including multiple myeloma, leukaemia and lymphoma cells, by activating the BAX/BAK-dependent mitochondrial apoptotic pathway. In vivo, S63845 shows potent anti-tumour activity with an acceptable safety margin as a single agent in several cancers. Moreover, MCL1 inhibition, either alone or in combination with other anti-cancer drugs, proved effective against several solid cancer-derived cell lines. These results point towards MCL1 as a target for the treatment of a wide range of tumours.


Price and Availability

Size
Price

5mg
USD 190
50mg
USD 950
Size
Price

10mg
USD 350
1g
Ask price
Size
Price

20mg
USD 550

S63845, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 406849
Name: S63845
CAS#: 1799633-27-4
Chemical Formula: C39H37ClF4N6O6S
Exact Mass: 828.212
Molecular Weight: 829.2646
Elemental Analysis: C, 56.49; H, 4.50; Cl, 4.27; F, 9.16; N, 10.13; O, 11.58; S, 3.87


Synonym: S63845; S-63845; S 63845.

IUPAC/Chemical Name: (R)-2-((5-(3-chloro-2-methyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl)oxy)-3-(2-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methoxy)phenyl)propanoic acid

InChi Key: ZFBHXVOCZBPADE-SSEXGKCCSA-N

InChi Code: InChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)/t30-/m1/s1

SMILES Code: O=C(O)[C@@H](CC1=C(OCC2=CC=NN2CC(F)(F)F)C=CC=C1)OC3=C4C(SC(C5=CC=C(F)O5)=[C@@]4[C@@]6=C(C)C(Cl)=C(OCCN7CCN(C)CC7)C=C6)=NC=N3


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code:
293490


References

1: Kotschy A, Szlavik Z, Murray J, Davidson J, Maragno AL, Le Toumelin-Braizat G,
Chanrion M, Kelly GL, Gong JN, Moujalled DM, Bruno A, Csekei M, Paczal A, Szabo
ZB, Sipos S, Radics G, Proszenyak A, Balint B, Ondi L, Blasko G, Robertson A,
Surgenor A, Dokurno P, Chen I, Matassova N, Smith J, Pedder C, Graham C, Studeny
A, Lysiak-Auvity G, Girard AM, Gravé F, Segal D, Riffkin CD, Pomilio G, Galbraith
LC, Aubrey BJ, Brennan MS, Herold MJ, Chang C, Guasconi G, Cauquil N, Melchiore
F, Guigal-Stephan N, Lockhart B, Colland F, Hickman JA, Roberts AW, Huang DC, Wei
AH, Strasser A, Lessene G, Geneste O. The MCL1 inhibitor S63845 is tolerable and
effective in diverse cancer models. Nature. 2016 Oct 19;538(7626):477-482. doi:
10.1038/nature19830. [Epub ahead of print] PubMed PMID: 27760111.

2: Nagai Y, Ueno S, Saeki Y, Soga F, Yanagihara T. Expression of the D3 dopamine
receptor gene and a novel variant transcript generated by alternative splicing in
human peripheral blood lymphocytes. Biochem Biophys Res Commun. 1993 Jul
15;194(1):368-74. PubMed PMID: 7916609.