IUPAC/Chemical Name
2,4-dichloro-N-(((1s,4s)-1-(cyclopropylmethyl)-4-((cyclopropylmethyl)sulfonyl)cyclohexyl)methyl)benzamide
InChi Key
PSIMLOLEQCVVJV-CXGRPWHSSA-N
InChi Code
InChI=1S/C22H29Cl2NO3S/c23-17-5-6-19(20(24)11-17)21(26)25-14-22(12-15-1-2-15)9-7-18(8-10-22)29(27,28)13-16-3-4-16/h5-6,11,15-16,18H,1-4,7-10,12-14H2,(H,25,26)/t18-,22+
SMILES Code
O=C(NC[C@@]1(CC2CC2)CC[C@@H](S(=O)(CC3CC3)=O)CC1)C4=CC=C(Cl)C=C4Cl
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
458.44
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: Blackaby WP, Lewis RT, Thomson JL, Jennings AS, Goodacre SC, Street LJ,
MacLeod AM, Pike A, Wood S, Thomas S, Brown TA, Smith A, Pillai G, Almond S,
Guscott MR, Burns HD, Eng W, Ryan C, Cook J, Hamill TG. Identification of an
Orally Bioavailable, Potent, and Selective Inhibitor of GlyT1. ACS Med Chem Lett.
2010 Jun 25;1(7):350-4. doi: 10.1021/ml1001085. eCollection 2010 Oct 14. PubMed
PMID: 24900218; PubMed Central PMCID: PMC4007840.