Spectinamide-1599

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

MedKoo CAT#: 465916

CAS#: unknown

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

Chemical Structure

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Spectinamide-1599
CAS# unknown
Instruction

Theoretical Analysis

MedKoo Cat#: 465916
Name: Spectinamide-1599
CAS#: unknown
Chemical Formula: C21H34Br3ClN4O7
Exact Mass: 725.97
Molecular Weight: 729.686
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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.

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.