Spectinamide-1599 | CAS#unknown | Anti-tuberculosis agent

MedKoo Cat#: 465916 | Name: Spectinamide-1599

Description:

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

Spectinamide-1599 is a novel anti-tuberculosis agent against intracellular Mycobacterium tuberculosis.

Chemical Structure

Spectinamide-1599

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465916

Name: Spectinamide-1599

CAS#: unknown

Chemical Formula: C21H34Br3ClN4O7

Exact Mass: 725.9666

Molecular Weight: 729.69

Elemental Analysis: C, 34.57; H, 4.70; Br, 32.85; Cl, 4.86; N, 7.68; O, 15.35

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

Spectinamide-1599; Spectinamide1599; Spectinamide 1599;

IUPAC/Chemical Name

2-(5-chloropyridin-2-yl)-N-((2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-2H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-yl)acetamide trihydrobromide

InChi Key

YLXDPQPOQVSHDX-DHAUGOQUSA-N

InChi Code

InChI=1S/C21H31ClN4O7.3BrH/c1-9-6-12(26-13(27)7-11-5-4-10(22)8-25-11)21(30)20(31-9)32-19-17(29)14(23-2)16(28)15(24-3)18(19)33-21;;;/h4-5,8-9,12,14-20,23-24,28-30H,6-7H2,1-3H3,(H,26,27);3*1H/t9-,12-,14-,15+,16+,17+,18-,19-,20+,21+;;;/m1.../s1

SMILES Code

O[C@H]1[C@H](NC)[C@H](O)[C@H](NC)[C@@H]2[C@@H]1O[C@H]3[C@@]([C@H](NC(CC4=CC=C(Cl)C=N4)=O)C[C@@H](C)O3)(O)O2.Br.Br.Br

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

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 729.69 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: Gonzalez-Juarrero M, Lukka PB, Wagh S, Walz A, Arab J, Pearce C, Ali Z, Ryman JT, Parmar K, Temrikar Z, Munoz-Gutierrez J, Robertson GT, Liu J, Lenaerts AJ, Daley C, Lee RE, Braunstein M, Hickey AJ, Meibohm B. Preclinical Evaluation of Inhalational Spectinamide-1599 Therapy against Tuberculosis. ACS Infect Dis. 2021 Oct 8;7(10):2850-2863. doi: 10.1021/acsinfecdis.1c00213. Epub 2021 Sep 21. PMID: 34546724. 2: Walz A, Lukka PB, Pearce C, Creissen E, Braunstein M, Hickey AJ, Meibohm B, Gonzalez-Juarrero M. Sterilization of Mycobacterium tuberculosis infected samples using methanol preserves anti-tuberculosis drugs for subsequent pharmacological testing studies. Tuberculosis (Edinb). 2019 Jul;117:52-55. doi: 10.1016/j.tube.2019.06.002. Epub 2019 Jun 6. PMID: 31378268. 3: Stewart IE, Lukka PB, Liu J, Meibohm B, Gonzalez-Juarrero M, Braunstein MS, Lee RE, Hickey AJ. Development and Characterization of a Dry Powder Formulation for Anti-Tuberculosis Drug Spectinamide 1599. Pharm Res. 2019 Jul 18;36(9):136. doi: 10.1007/s11095-019-2666-8. PMID: 31321552; PMCID: PMC7851762. 4: Rathi C, Lukka PB, Wagh S, Lee RE, Lenaerts AJ, Braunstein M, Hickey A, Gonzalez-Juarrero M, Meibohm B. Comparative pharmacokinetics of spectinamide 1599 after subcutaneous and intrapulmonary aerosol administration in mice. Tuberculosis (Edinb). 2019 Jan;114:119-122. doi: 10.1016/j.tube.2018.12.006. Epub 2018 Dec 31. PMID: 30711150; PMCID: PMC6362843. 5: Santos K, Lukka PB, Grzegorzewicz A, Jackson M, Trivedi A, Pavan F, Chorilli M, Braunstein M, Hickey A, Meibohm B, Gonzalez-Juarrero M. Primary Lung Dendritic Cell Cultures to Assess Efficacy of Spectinamide-1599 Against Intracellular Mycobacterium tuberculosis. Front Microbiol. 2018 Aug 21;9:1895. doi: 10.3389/fmicb.2018.01895. PMID: 30186246; PMCID: PMC6110900. 6: Bruhn DF, Scherman MS, Liu J, Scherbakov D, Meibohm B, Böttger EC, Lenaerts AJ, Lee RE. In vitro and in vivo Evaluation of Synergism between Anti-Tubercular Spectinamides and Non-Classical Tuberculosis Antibiotics. Sci Rep. 2015 Sep 14;5:13985. doi: 10.1038/srep13985. PMID: 26365087; PMCID: PMC4568539.