WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555830
CAS#: 1355357-49-1
Description: PTN57491 is an key intermediate chemical to synthesize antiviral drugs remdesivir and GS441524. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 555830
Name: PTN57491
CAS#: 1355357-49-1
Chemical Formula: C33H31N5O4
Exact Mass: 561.2376
Molecular Weight: 561.642
Elemental Analysis: C, 70.57; H, 5.56; N, 12.47; O, 11.39
Synonym: PTN57491; PTN-57491; PTN 57491; GS441524-intermediate; GS 441524-intermediate; GS-441524-intermediate; remdesivir-intermediate; Remdesivir related compound 5;
IUPAC/Chemical Name: (2R,3R,4R,5R)-2-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-carbonitrile
InChi Key: PJXBLWLWNWGFJO-TXLSGFARSA-N
InChi Code: InChI=1S/C33H31N5O4/c34-22-33(29-17-16-27-32(35)36-23-37-38(27)29)31(41-20-26-14-8-3-9-15-26)30(40-19-25-12-6-2-7-13-25)28(42-33)21-39-18-24-10-4-1-5-11-24/h1-17,23,28,30-31H,18-21H2,(H2,35,36,37)/t28-,30-,31-,33+/m1/s1
SMILES Code: N#C[C@@]1(C2=CC=C3C(N)=NC=NN32)O[C@H](COCC4=CC=CC=C4)[C@@H](OCC5=CC=CC=C5)[C@H]1OCC6=CC=CC=C6
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: >3 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
The following data is based on the product molecular weight 561.642 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 |
