WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H413477
CAS#: 503291-53-0 (tosylate)
Description: Dasolampanel etibutil tosylate is used in the treatment of Chronic Pain
Hodoodo Cat#: H413477
Name: Dasolampanel etibutil tosylate
CAS#: 503291-53-0 (tosylate)
Chemical Formula: C17H15N7Na2O8S4
Exact Mass: 618.97
Molecular Weight: 619.570
Elemental Analysis: C, 32.96; H, 2.44; N, 15.83; Na, 7.42; O, 20.66; S, 20.70
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Related CAS #: 503291-53-0 (tosylate) 503291-52-9 (etibutil)
Synonym: Dasolampanel etibutil tosylate; LY545694 tosylate; LY-545694 tosylate; LY 545694 tosylate
IUPAC/Chemical Name: 3-Isoquinolinecarboxylic acid, 6-(3-chloro-2-(1H-tetrazol-5-yl)phenoxy)decahydro-, 2- ethylbutyl ester, (3S,4aS,6S,8aR)-, mono(4-methylbenzenesulfonate)
InChi Key: ZQQALMSFFARWPK-GLHLDKNHSA-L
InChi Code: InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1
SMILES Code: O=C(C(N12)=C(CSC3=NN=NN3C)CS[C@]2([H])[C@](OC)(NC(C(S/4)SC4=C(C([O-])=O)\C(N)=O)=O)C1=O)[O-].[Na+].[Na+]
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: |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| To be determined | 0.0 | 100.00 |
The following data is based on the product molecular weight 619.57 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: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Petersen KL, Iyengar S, Chappell AS, Lobo ED, Reda H, Prucka WR, Verfaille SJ. Safety, tolerability, pharmacokinetics, and effects on human experimental pain of the selective ionotropic glutamate receptor 5 (iGluR5) antagonist LY545694 in healthy volunteers. Pain. 2014 May;155(5):929-36. doi: 10.1016/j.pain.2014.01.019. Epub 2014 Jan 31. PubMed PMID: 24486883.
2: Martinez-Perez JA, Iyengar S, Shannon HE, Bleakman D, Alt A, Clawson DK, Arnold BM, Bell MG, Bleisch TJ, Castaño AM, Del Prado M, Dominguez E, Escribano AM, Filla SA, Ho KH, Hudziak KJ, Jones CK, Mateo A, Mathes BM, Mattiuz EL, Ogden AM, Simmons RM, Stack DR, Stratford RE, Winter MA, Wu Z, Ornstein PL. GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy. Bioorg Med Chem Lett. 2013 Dec 1;23(23):6463-6. doi: 10.1016/j.bmcl.2013.09.045. Epub 2013 Sep 24. PubMed PMID: 24140446.
