M-0002

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

MedKoo CAT#: 529429

CAS#: 285559-03-7 (M-0002 HCl)

Description: M-0002, also known as RWJ-351647 and SPD-556, is a vasopressin V2 receptor antagonist potentially for the treatment of ascites.


Price and Availability

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M-0002 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 529429
Name: M-0002
CAS#: 285559-03-7 (M-0002 HCl)
Chemical Formula: C32H29Cl2N3O3
Exact Mass:
Molecular Weight: 574.5
Elemental Analysis: C, 66.90; H, 5.09; Cl, 12.34; N, 7.31; O, 8.35


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


Technical Data

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:
>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).

Harmonized System Code:
293490


References

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.