Synonym
PDD4091; PDD 4091; PDD-4091
IUPAC/Chemical Name
N-[(3beta,5alpha)-17-Oxoandrostan-3-yl]sulfamide
InChi Key
QLIJDTTVUNSTPX-LUJOEAJASA-N
InChi Code
InChI=1S/C19H32N2O3S/c1-18-9-7-13(21-25(20,23)24)11-12(18)3-4-14-15-5-6-17(22)19(15,2)10-8-16(14)18/h12-16,21H,3-11H2,1-2H3,(H2,20,23,24)/t12-,13-,14-,15-,16-,18-,19-/m0/s1
SMILES Code
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC[C@]1(C[C@@H](NS(N)(=O)=O)CC2)[H])[H])[H]
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
Biological target:
PDD4091 had a reasonably wide therapeutic window (0.01–15 mg kg-1 day-1) with an EC50 of 0.26 +/- 0.10, and 0.58 +/-0.36 mg kg-1 day-1 reduced both RVSP and RVEDP.
In vitro activity:
To be determined
In vivo activity:
PDD4091 dose-dependently relaxed PA precontracted with KCl. PDD4091 arrested maladaptive gene expression in vascular cells of the PA wall, reduced cell growth in occlusive pulmonary arterial disease, and dose-dependently relaxed precontracted PAs.
Reference: J Pharmacol Exp Ther. May 1, 2021, 377 (2) 284-292 https://jpet.aspetjournals.org/content/377/2/284
Preparing Stock Solutions
The following data is based on the
product
molecular weight
368.54
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.
| 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:
1. Atsushi Kitagawa, Christina Jacob, Allan Jordan, Ian Waddell, Ivan F. McMurtry and Sachin A. Gupte. Journal of Pharmacology and Experimental Therapeutics May 1, 2021, 377 (2) 284-292; DOI: https://doi.org/10.1124/jpet.120.000166
In vitro protocol:
To be determined
In vivo protocol:
1. Atsushi Kitagawa, Christina Jacob, Allan Jordan, Ian Waddell, Ivan F. McMurtry and Sachin A. Gupte. Journal of Pharmacology and Experimental Therapeutics May 1, 2021, 377 (2) 284-292; DOI: https://doi.org/10.1124/jpet.120.000166
1: Ghergurovich JM, García-Cañaveras JC, Wang J, Schmidt E, Zhang Z, TeSlaa T,
Patel H, Chen L, Britt EC, Piqueras-Nebot M, Gomez-Cabrera MC, Lahoz A, Fan J,
Beier UH, Kim H, Rabinowitz JD. A small molecule G6PD inhibitor reveals immune
dependence on pentose phosphate pathway. Nat Chem Biol. 2020 Jul;16(7):731-739.
doi: 10.1038/s41589-020-0533-x. Epub 2020 May 11. PMID: 32393898; PMCID:
PMC7311271.
2: Luo Z, Du D, Liu Y, Lu T, Liu L, Jiang H, Chen K, Shan C, Luo C. Discovery
and characterization of a novel glucose-6-phosphate dehydrogenase (G6PD)
inhibitor via high-throughput screening. Bioorg Med Chem Lett. 2021 May
15;40:127905. doi: 10.1016/j.bmcl.2021.127905. Epub 2021 Mar 6. PMID: 33689874.
1. Atsushi Kitagawa, Christina Jacob, Allan Jordan, Ian Waddell, Ivan F. McMurtry and Sachin A. Gupte. Journal of Pharmacology and Experimental Therapeutics May 1, 2021, 377 (2) 284-292; DOI: https://doi.org/10.1124/jpet.120.000166
