MedKoo Cat#: 122438 | Name: MS6105

Description:

WARNING: This product is for research use only, not for human or veterinary use.

MS6105 is the First Lactate Dehydrogenase Proteolysis Targeting Chimera Degrader for the Treatment of Pancreatic Cancer. MS6105 Potently degraded LDHA in a time- and ubiquitin-proteasome system dependent manner. MS6105 was significantly more potent than the parent LDH inhibitor in suppressing the growth of both quasi-mesenchymal state and epithelial state pancreatic cancer cell lines. Furthermore, MS6105 was bioavailable in mice through intraperitoneal injection.

Chemical Structure

MS6105
MS6105
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 122438

Name: MS6105

CAS#: N/A

Chemical Formula: C65H81N9O9S3

Exact Mass: 1227.5319

Molecular Weight: 1228.60

Elemental Analysis: C, 63.55; H, 6.65; N, 10.26; O, 11.72; S, 7.83

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
MS6105, MS-6105, MS 6105
IUPAC/Chemical Name
2-(5-(cyclopropylmethyl)-3-(3-(6-(13-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-13-oxotridecanamido)hex-1-yn-1-yl)phenyl)-4-(4-sulfamoylbenzyl)-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
InChi Key
APEYSKGQWJKJAZ-LCLGPXMOSA-N
InChi Code
InChI=1S/C65H81N9O9S3/c1-43-59(85-42-69-43)48-30-26-47(27-31-48)39-68-61(78)55-38-50(75)40-73(55)62(79)60(65(2,3)4)71-57(77)23-16-11-9-7-5-6-8-10-15-22-56(76)67-34-17-13-12-14-19-44-20-18-21-49(35-44)58-52(36-45-28-32-51(33-29-45)86(66,82)83)54(37-46-24-25-46)74(72-58)64-70-53(41-84-64)63(80)81/h18,20-21,26-33,35,41-42,46,50,55,60,75H,5-13,15-17,22-25,34,36-40H2,1-4H3,(H,67,76)(H,68,78)(H,71,77)(H,80,81)(H2,66,82,83)/t50-,55+,60-/m1/s1
SMILES Code
O=C(C1=CSC(N2N=C(C3=CC=CC(C#CCCCCNC(CCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=C3)C(CC7=CC=C(S(=O)(N)=O)C=C7)=C2CC8CC8)=N1)O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,228.60 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Sun N, Kabir M, Lee Y, Xie L, Hu X, Velez J, Chen X, Kaniskan HÜ, Jin J. Discovery of the First Lactate Dehydrogenase Proteolysis Targeting Chimera Degrader for the Treatment of Pancreatic Cancer. J Med Chem. 2022 Dec 20. doi: 10.1021/acs.jmedchem.2c01505. Epub ahead of print. PMID: 36538511.