Synonym
PGAM1 inhibitor KH3; PGAM1-inhibitor KH3; PGAM1 inhibitor-KH3; PGAM1-inhibitor-KH3;
IUPAC/Chemical Name
N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-4-(pyrrolidin-1-yl)benzenesulfonamide
InChi Key
FATFJWGBJFSTGQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H20N2O6S/c27-21-16-5-1-2-6-17(16)22(28)20-18(21)13-19(23(29)24(20)30)25-33(31,32)15-9-7-14(8-10-15)26-11-3-4-12-26/h1-2,5-10,13,25,29-30H,3-4,11-12H2
SMILES Code
O=S(C1=CC=C(N2CCCC2)C=C1)(NC(C=C3C4=O)=C(O)C(O)=C3C(C5=C4C=CC=C5)=O)=O
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).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
464.49
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 |
1: Wen CL, Huang K, Jiang LL, Lu XX, Dai YT, Shi MM, Tang XM, Wang QB, Zhang XD, Wang PH, Li HT, Ruan XX, Wang LW, Wang XJ, Wang Q, Lu W, Xiang XQ, Sun X, Xu YH, Lai LH, Zhan Q, Li HW, Peng CH, Chen J, Huang JY, Ye DY, Chen SJ, Chen Z, Li M, Fang Y, Shen BY, Zhou L. An allosteric PGAM1 inhibitor effectively suppresses pancreatic ductal adenocarcinoma. Proc Natl Acad Sci U S A. 2019 Nov 12;116(46):23264-23273. doi: 10.1073/pnas.1914557116. Epub 2019 Oct 29. PMID: 31662475; PMCID: PMC6859357.
