Aldumastat
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MedKoo CAT#: 464396

CAS#: 1957278-93-1

Description: Aldumastat, also known as GLPG1972 and S201086, a Potent, Selective, and Orally Bioavailable ADAMTS‑5 Inhibitor (IC50 = 19 nM) for the Treatment of Osteoarthritis. GLPG1972 inhibited human and rat ADAMTS5 (IC50 ± SD: 19 ± 2 nM and <23 ± 1 nM, respectively), with 8-fold selectivity over ADAMTS4, and 60->5,000-fold selectivity over other related proteases in humans. GLPG1972 dose-dependently inhibited cytokine-stimulated aggrenolysis in mouse and human cartilage explants (100% at 20 μM and 10 μM, respectively). In DMM mice, GLPG1972 (30-120 mg/kg b.i.d) vs vehicle reduced femorotibial cartilage proteoglycan loss (23-37%), cartilage structural damage (23-39%) and subchondral bone sclerosis (21-36%). In MNX rats, GLPG1972 (10-50 mg/kg b.i.d) vs vehicle reduced cartilage damage (OARSI score reduction, 6-23%), and decreased proteoglycan loss (∼27%) and subchondral bone sclerosis (77-110%).


Chemical Structure

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Aldumastat
CAS# 1957278-93-1

Theoretical Analysis

MedKoo Cat#: 464396
Name: Aldumastat
CAS#: 1957278-93-1
Chemical Formula: C20H24F2N4O3
Exact Mass: 406.18
Molecular Weight: 406.434
Elemental Analysis: C, 59.10; H, 5.95; F, 9.35; N, 13.79; O, 11.81

Price and Availability

Size Price Availability Quantity
5mg USD 750 2 Weeks
10mg USD 1250 2 Weeks
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Synonym: GLPG1972; GLPG 1972; GLPG-1972; S201086; S-201086; S 201086; Aldumastat;

IUPAC/Chemical Name: (S)-5-cyclopropyl-5-(3-((S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl)-3-oxopropyl)imidazolidine-2,4-dione

InChi Key: CMLVKUWQFZQPPS-YUNKPMOVSA-N

InChi Code: InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1

SMILES Code: FC1=CC(F)=CC(N2CCN(C(CC[C@]3(C4CC4)C(NC(N3)=O)=O)=O)C[C@@H]2C)=C1

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: 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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 406.43 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Brebion F, Gosmini R, Deprez P, Varin M, Peixoto C, Alvey L, Jary H, Bienvenu N, Triballeau N, Blanque R, Cottereaux C, Christophe T, Vandervoort N, Mollat P, Touitou R, Leonard P, Ceuninck F, Botez I, Monjardet A, van der Aar E, Amantini D. Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis. J Med Chem. 2021 Mar 25;64(6):2937-2952. doi: 10.1021/acs.jmedchem.0c02008. Epub 2021 Mar 15. PMID: 33719441.

2: Malemud CJ. Inhibition of MMPs and ADAM/ADAMTS. Biochem Pharmacol. 2019 Jul;165:33-40. doi: 10.1016/j.bcp.2019.02.033. Epub 2019 Feb 28. PMID: 30826330; PMCID: PMC6557692.