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MedKoo Cat#: 534986 | Name: CL 331002

Description:

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

CL 331002 is a bioactive chemical.

Chemical Structure

CL 331002
CL 331002
CAS#154445-06-4

Theoretical Analysis

MedKoo Cat#: 534986

Name: CL 331002

CAS#: 154445-06-4

Chemical Formula: C25H29N3O8

Exact Mass: 499.1955

Molecular Weight: 499.52

Elemental Analysis: C, 60.11; H, 5.85; N, 8.41; O, 25.62

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
CL 331002; CL-331002; CL331002
IUPAC/Chemical Name
2-Naphthacenecarboxamide, 4-(dimethylamino)-N-((dimethylamino)acetyl)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-
InChi Key
SYANBUABHXWHTA-JNCWMXRTSA-N
InChi Code
InChI=1S/C25H29N3O8/c1-27(2)10-15(30)26-24(35)18-21(32)19(28(3)4)13-9-12-8-11-6-5-7-14(29)16(11)20(31)17(12)22(33)25(13,36)23(18)34/h5-7,12-13,19,29,32-33,36H,8-10H2,1-4H3,(H,26,30,35)/t12-,13-,19-,25-/m0/s1
SMILES Code
O=C(C(C1=O)=C(O)[C@@H](N(C)C)[C@]2([H])C[C@]3([H])CC4=C(C(C3=C(O)[C@@]21O)=O)C(O)=CC=C4)NC(CN(C)C)=O
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
>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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 499.52 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.

Recalculate based on batch purity %
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: Hamilton-Miller JM, Shah S. Activity of glycylcyclines CL 329998 and CL 331002 against minocycline-resistant and other strains of methicillin-resistant Staphylococcus aureus. J Antimicrob Chemother. 1996 Jun;37(6):1171-5. doi: 10.1093/jac/37.6.1171. PMID: 8836820. 2: Shlaes DM. An update on tetracyclines. Curr Opin Investig Drugs. 2006 Feb;7(2):167-71. PMID: 16499287. 3: Seputiene V, Povilonis J, Armalyte J, Suziedelis K, Pavilonis A, Suziedeliene E. Tigecycline - how powerful is it in the fight against antibiotic-resistant bacteria? Medicina (Kaunas). 2010;46(4):240-8. PMID: 20571291. 4: Vojtová V, Urbánek K. Farmakokinetika tetracyklinů a glycylcyklinů [Pharmacokinetics of tetracyclines and glycylcyclines]. Klin Mikrobiol Infekc Lek. 2009 Feb;15(1):17-21. Czech. PMID: 19399726. 5: Rubinstein E, Vaughan D. Tigecycline: a novel glycylcycline. Drugs. 2005;65(10):1317-36. doi: 10.2165/00003495-200565100-00002. PMID: 15977966. 6: Chopra I. Glycylcyclines: third-generation tetracycline antibiotics. Curr Opin Pharmacol. 2001 Oct;1(5):464-9. doi: 10.1016/s1471-4892(01)00081-9. PMID: 11764771. 7: Vincent S, Bronze MS, Cooper TW, Greenfied RA. Part X. Tetracycline and glycylcycline antimicrobials. J Okla State Med Assoc. 2007 Jun;100(6):241-7. PMID: 17708423. 8: Zuckerman JM, Qamar F, Bono BR. Macrolides, ketolides, and glycylcyclines: azithromycin, clarithromycin, telithromycin, tigecycline. Infect Dis Clin North Am. 2009 Dec;23(4):997-1026, ix-x. doi: 10.1016/j.idc.2009.06.013. PMID: 19909895. 9: Miyazaki S. [Other antimicrobial agents (linezolid, quinupristin/dalfopristin, glycylcycline etc)]. Nihon Rinsho. 2003 Mar;61 Suppl 3:241-7. Japanese. PMID: 12717978. 10: Jones CH, Petersen PJ. Tigecycline: a review of preclinical and clinical studies of the first-in-class glycylcycline antibiotic. Drugs Today (Barc). 2005 Oct;41(10):637-59. doi: 10.1358/dot.2005.41.10.937460. PMID: 16389407. 11: Wise R, Andrews JM. In vitro activities of two glycylcyclines. Antimicrob Agents Chemother. 1994 May;38(5):1096-102. doi: 10.1128/aac.38.5.1096. PMID: 8067744; PMCID: PMC188156. 12: Chan-Tompkins NH. Multidrug-resistant gram-negative infections. Bringing back the old. Crit Care Nurs Q. 2011 Apr-Jun;34(2):87-100. doi: 10.1097/CNQ.0b013e31820f6e88. PMID: 21407003. 13: Naess A, Andreeva H, Sørnes S. Tigecycline attenuates polymorphonuclear leukocyte (PMN) receptors but not functions. Acta Pharm. 2011 Sep 1;61(3):297-302. doi: 10.2478/v10007-011-0024-4. PMID: 21945908. 14: Cooreman S, Jeurissen A. Comment on: Newer antibacterial agents and their potential role in cystic fibrosis pulmonary exacerbation management. J Antimicrob Chemother. 2011 May;66(5):1197-8; author reply 1198-9. doi: 10.1093/jac/dkq474. Epub 2010 Dec 5. PMID: 21131691. 15: Starzengruber P, Thriemer K, Haque R, Khan WA, Fuehrer HP, Siedl A, Hofecker V, Ley B, Wernsdorfer WH, Noedl H. Antimalarial activity of tigecycline, a novel glycylcycline antibiotic. Antimicrob Agents Chemother. 2009 Sep;53(9):4040-2. doi: 10.1128/AAC.00312-09. Epub 2009 Jul 13. PMID: 19596882; PMCID: PMC2737841. 16: Rumbo C, Gato E, López M, Ruiz de Alegría C, Fernández-Cuenca F, Martínez- Martínez L, Vila J, Pachón J, Cisneros JM, Rodríguez-Baño J, Pascual A, Bou G, Tomás M; Spanish Group of Nosocomial Infections and Mechanisms of Action and Resistance to Antimicrobials (GEIH-GEMARA); Spanish Society of Clinical Microbiology and Infectious Diseases (SEIMC); Spanish Network for Research in Infectious Diseases(REIPI). Contribution of efflux pumps, porins, and β-lactamases to multidrug resistance in clinical isolates of Acinetobacter baumannii. Antimicrob Agents Chemother. 2013 Nov;57(11):5247-57. doi: 10.1128/AAC.00730-13. Epub 2013 Aug 12. PMID: 23939894; PMCID: PMC3811325. 17: da Silva LM, Nunes Salgado HR. Tigecycline: a review of properties, applications, and analytical methods. Ther Drug Monit. 2010 Jun;32(3):282-8. doi: 10.1097/FTD.0b013e3181dda54f. PMID: 20431506. 18: Sum PE. Case studies in current drug development: 'glycylcyclines'. Curr Opin Chem Biol. 2006 Aug;10(4):374-9. doi: 10.1016/j.cbpa.2006.06.009. Epub 2006 Jun 27. PMID: 16807065. 19: Brandi-Blanco Mdel P, Choquesillo-Lazarte D, Domínguez-Martín A, González- Pérez JM, Castiñeiras A, Niclós-Gutiérrez J. Metal ion binding patterns of acyclovir: molecular recognition between this antiviral agent and copper(II) chelates with iminodiacetate or glycylglycinate. J Inorg Biochem. 2011 May;105(5):616-23. doi: 10.1016/j.jinorgbio.2011.02.001. Epub 2011 Mar 29. PMID: 21443851. 20: Dean CR, Visalli MA, Projan SJ, Sum PE, Bradford PA. Efflux-mediated resistance to tigecycline (GAR-936) in Pseudomonas aeruginosa PAO1. Antimicrob Agents Chemother. 2003 Mar;47(3):972-8. doi: 10.1128/aac.47.3.972-978.2003. PMID: 12604529; PMCID: PMC149306.

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