Synonym
S0071558, S0-07-1558, S007-15-58, S007-1558 (S); GPVI modulator 5
IUPAC/Chemical Name
(S)-2-((4-Methoxyphenyl)sulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
InChi Key
KBVPHVCPUVDXOQ-SFHVURJKSA-N
InChi Code
InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)/t18-/m0/s1
SMILES Code
O=C([C@@H]1CC2=C(CN1S(=O)(C3=CC=C(OC)C=C3)=O)NC4=C2C=CC=C4)N
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
385.44
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: Saxena A, Valicherla GR, Jain GK, Bhatta RS, Saxena AK, Gayen JR. Metabolic profiling of a novel antithrombotic compound, S002-333 and enantiomers: metabolic stability, species comparison and in vitro-in vivo extrapolation. Biopharm Drug Dispos. 2016 May;37(4):185-99. doi: 10.1002/bdd.1995. PMID: 26477787.
2: Saxena A, Jain GK, Siddiqui HH, Bhunia SS, Saxena AK, Gayen JR. In vitro metabolism of a novel antithrombotic compound, S002-333, and its enantiomers: quantitative cytochrome P450 phenotyping, metabolic profiling and enzyme kinetic studies. Xenobiotica. 2014 Apr;44(4):295-308. doi: 10.3109/00498254.2013.831958. Epub 2013 Aug 30. PMID: 23992115.
3: Saxena A, Valicherla GR, Joshi P, Saxena R, Cheruvu SH, Bhunia SS, Jain GK, Siddiqui HH, Saxena AK, Gayen JR. Pharmacokinetics, dose proportionality and permeability of S002-333 and its enantiomers, a potent antithrombotic agent, in rabbits. Xenobiotica. 2015;45(11):1016-23. doi: 10.3109/00498254.2015.1034224. Epub 2015 Jun 18. PMID: 26084373.
4: Bhateria M, Rachumallu R, Yerrabelli S, Saxena AK, Bhatta RS. Insight into stereoselective disposition of enantiomers of a potent antithrombotic agent, S002-333 following administration of the racemic compound to mice. Eur J Pharm Sci. 2017 Apr 1;101:107-114. doi: 10.1016/j.ejps.2017.02.012. Epub 2017 Feb 9. PMID: 28189817.
5: Bhateria M, Ramakrishna R, Puttrevu SK, Saxena AK, Bhatta RS. Enantioselective inhibition of Cytochrome P450-mediated drug metabolism by a novel antithrombotic agent, S002-333: Major effect on CYP2B6. Chem Biol Interact. 2016 Aug 25;256:257-65. doi: 10.1016/j.cbi.2016.07.001. Epub 2016 Jul 4. PMID: 27387538
