CW-002 cation | nondepolarizing neuromuscular blocker | CAS#1246170-56-8

MedKoo Cat#: 125256 | Name: CW-002 cation

Description:

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

CW-002 cation is an investigational fumarate-based nondepolarizing neuromuscular blocker.

Chemical Structure

CW-002 cation

CAS#1246170-56-8

Theoretical Analysis

MedKoo Cat#: 125256

Name: CW-002 cation

CAS#: 1246170-56-8

Chemical Formula: C52H68N2O122

Exact Mass: 912.4800

Molecular Weight: 913.12

Elemental Analysis: C, 68.40; H, 7.51; N, 3.07; O, 21.03

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

AV002 cation; CW-002 cation; Q4IF0M6RCM; NB 1025-68 cation; UNII-Q4IF0M6RCM

IUPAC/Chemical Name

(1R,1'R,2S,2'S)-2,2'-((fumaroylbis(oxy))bis(propane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium)

InChi Key

VAAOJRNWUCWLCQ-QZFJSFTMSA-N

InChi Code

InChI=1S/C52H68N2O12/c1-53(23-19-37-31-47(61-7)49(63-9)33-39(37)41(53)27-35-13-15-43(57-3)45(29-35)59-5)21-11-25-65-51(55)17-18-52(56)66-26-12-22-54(2)24-20-38-32-48(62-8)50(64-10)34-40(38)42(54)28-36-14-16-44(58-4)46(30-36)60-6/h13-18,29-34,41-42H,11-12,19-28H2,1-10H3/q+2/b18-17+/t41-,42-,53-,54-/m1/s1

SMILES Code

C[N@+]1(CCC2=CC(OC)=C(OC)C=C2[C@@]1([H])CC3=CC(OC)=C(OC)C=C3)CCCOC(/C([H])=C([H])/C(OCCC[N@@+]4(CCC5=CC(OC)=C(OC)C=C5[C@@]4([H])CC6=CC(OC)=C(OC)C=C6)C)=O)=O

Appearance

To be determined

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 913.12 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: de Boer HD, Carlos RV. New Drug Developments for Neuromuscular Blockade and Reversal: Gantacurium, CW002, CW011, and Calabadion. Curr Anesthesiol Rep. 2018;8(2):119-124. doi: 10.1007/s40140-018-0262-9. Epub 2018 Mar 22. PMID: 29904284; PMCID: PMC5988786. 2: Sunaga H, Zhang Y, Savarese JJ, Emala CW. Gantacurium and CW002 do not potentiate muscarinic receptor-mediated airway smooth muscle constriction in guinea pigs. Anesthesiology. 2010 Apr;112(4):892-9. doi: 10.1097/ALN.0b013e3181d32016. PMID: 20216393; PMCID: PMC2854830. 3: Diaz LL, Zhang J, Heerdt PM. Comparative pharmacodynamics of pancuronium, cisatracurium, and CW002 in rabbits. J Am Assoc Lab Anim Sci. 2014 May;53(3):283-9. PMID: 24827571; PMCID: PMC4128567. 4: Kaullen JD, Owen JS, Brouwer KLR, Heerdt PM, Lien CA, Savarese JJ, Schmith VD. Pharmacokinetic/Pharmacodynamic Model of CW002, an Investigational Intermediate Neuromuscular Blocking Agent, in Healthy Volunteers. Anesthesiology. 2018 Jun;128(6):1107-1116. doi: 10.1097/ALN.0000000000002157. PMID: 29494403; PMCID: PMC5953789. 5: Heerdt PM, Malhotra JK, Pan BY, Sunaga H, Savarese JJ. Pharmacodynamics and cardiopulmonary side effects of CW002, a cysteine-reversible neuromuscular blocking drug in dogs. Anesthesiology. 2010 Apr;112(4):910-6. doi: 10.1097/ALN.0b013e3181d31f71. PMID: 20234311. 6: Heerdt PM, Sunaga H, Owen JS, Murrell MT, Malhotra JK, Godfrey D, Steinkamp M, Savard P, Savarese JJ, Lien CA. Dose-response and Cardiopulmonary Side Effects of the Novel Neuromuscular-blocking Drug CW002 in Man. Anesthesiology. 2016 Dec;125(6):1136-1143. doi: 10.1097/ALN.0000000000001386. PMID: 27749289. 7: Sunaga H, Savarese JJ, McGilvra JD, Heerdt PM, Belmont MR, Van Ornum SG, Murrell MT, Malhotra JK, Savard PM, Jeannotte E, Petty BJ, Allen E, Carnathan GW. Preclinical Pharmacology of CW002: A Nondepolarizing Neuromuscular Blocking Drug of Intermediate Duration, Degraded and Antagonized by l-cysteine-Additional Studies of Safety and Efficacy in the Anesthetized Rhesus Monkey and Cat. Anesthesiology. 2016 Oct;125(4):732-743. doi: 10.1097/ALN.0000000000001254. PMID: 27466033.