MedKoo Cat#: 341618 | Name: Velusetrag HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

This product is discontinued for commercial reason.

Chemical Structure

Velusetrag HCl
Velusetrag HCl
CAS#866933-51-9 (HCl)

Theoretical Analysis

MedKoo Cat#: 341618

Name: Velusetrag HCl

CAS#: 866933-51-9 (HCl)

Chemical Formula: C25H37ClN4O5S

Exact Mass: 540.2173

Molecular Weight: 541.10

Elemental Analysis: C, 55.49; H, 6.89; Cl, 6.55; N, 10.35; O, 14.78; S, 5.92

Price and Availability

This product was removed for the commercial reasons.
Synonym
Velusetrag hydrochloride; TD-5108; TD 5108; TD5108.
IUPAC/Chemical Name
3-Quinolinecarboxamide, 1,2-dihydro-N-((3-endo)-8-((2R)-2-hydroxy-3-(methyl(methylsulfonyl)amino)propyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-(1-methylethyl)-2-oxo-, monohydrochloride
InChi Key
BLIKSWRONBYRDD-BCDHGJHMSA-N
InChi Code
InChI=1S/C25H36N4O5S.ClH/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34;/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31);1H/t18?,19-,20+,21-;/m0./s1
SMILES Code
Cl.CC(C)N1C(=O)C(=Cc2ccccc12)C(=O)NC3C[C@@H]4CC[C@H](C3)N4C[C@@H](O)CN(C)S(=O)(=O)C
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 541.10 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