Related CAS #
285571-93-9 (M-0002 free base)
Synonym
M-0002; RWJ-351647; SPD-556; M0002; RWJ351647; SPD556; M 0002; RWJ 351647; SPD 556
IUPAC/Chemical Name
(S)-N-(3-chloro-4-(3,4,6,11,12,12a-hexahydro-1H-benzo[e][1,4]oxazino[4,3-a][1,4]diazepine-11-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxamide hydrochloride
InChi Key
NTTUAEGHFUAPMK-UQIIZPHYSA-N
InChi Code
InChI=1S/C32H28ClN3O3.ClH/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36;/h1-15,18,25H,16-17,19-21H2,(H,34,37);1H/t25-;/m0./s1
SMILES Code
O=C(C1=CC=CC=C1C2=CC=CC=C2)NC3=CC=C(C(N4C[C@](COCC5)([H])N5CC6=CC=CC=C64)=O)C(Cl)=C3.[H]Cl
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
>2 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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
574.50
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: Thuluvath PJ, Maheshwari A, Wong F, Yoo HW, Schrier RW, Parikh C, Steare S, Korula J. Oral V2 receptor antagonist (RWJ-351647) in patients with cirrhosis and ascites: a randomized, double-blind, placebo-controlled, single ascending dose study. Aliment Pharmacol Ther. 2006 Sep 15;24(6):973-82. PubMed PMID: 16948809.
2: Gunnet JW, Matthews JM, Maryanoff BE, de Garavilla L, Andrade-Gordon P, Damiano B, Hageman W, Look R, Stahle P, Streeter AJ, Wines PG, Demarest KT. Characterization of RWJ-351647, a novel nonpeptide vasopressin V2 receptor antagonist. Clin Exp Pharmacol Physiol. 2006 Apr;33(4):320-6. PubMed PMID: 16620295.
3: Ros J, Fernández-Varo G, Muñoz-Luque J, Arroyo V, Rodés J, Gunnet JW, Demarest KT, Jiménez W. Sustained aquaretic effect of the V2-AVP receptor antagonist, RWJ-351647, in cirrhotic rats with ascites and water retention. Br J Pharmacol. 2005 Nov;146(5):654-61. PubMed PMID: 16113688; PubMed Central PMCID: PMC1751206.
4: Costello-Boerrigter LC, Boerrigter G, Burnett JC Jr. Pharmacology of vasopressin antagonists. Heart Fail Rev. 2009 Jun;14(2):75-82. doi: 10.1007/s10741-008-9108-8. Review. PubMed PMID: 18766438.
