Cyclotheonellazole A | CAS#unknown | Inhibitor

MedKoo Cat#: 208194 | Name: Cyclotheonellazole A

Description:

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

Cyclotheonellazole A (CTL-A) is a natural macrocyclic peptide reported to be a potent elastase inhibitor. The activity of CTL-A against elastase, along with its cellular safety and well-established synthetic route, warrants further investigation of CTL-A as a candidate against COVID-19 pathogeneses.

Chemical Structure

Cyclotheonellazole A

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 208194

Name: Cyclotheonellazole A

CAS#: unknown

Chemical Formula: C44H54N9NaO14S2

Exact Mass: 1019.3129

Molecular Weight: 1020.07

Elemental Analysis: C, 51.81; H, 5.34; N, 12.36; Na, 2.25; O, 21.96; S, 6.29

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

Cyclotheonellazole A, Cyclotheonellazole-A, CTL-A

IUPAC/Chemical Name

sodium ((12Z,2S,6S,9S,12S,16R,19E)-6-((S)-sec-butyl)-12-((S)-2-(2-(4-hydroxybenzamido)acetamido)propanamido)-2-(4-hydroxybenzyl)-4,5,8,11,15,18-hexaoxo-9-propyl-3,7,10,14,17-pentaaza-1(2,4)-thiazolacycloicosaphan-19-en-16-yl)methanesulfonate

InChi Key

LPCQOONMZQYYDO-SLRVFGMSSA-M

InChi Code

InChI=1S/C44H55N9O14S2.Na/c1-5-7-30-41(62)53-36(23(3)6-2)37(58)43(64)51-31(18-25-8-13-28(54)14-9-25)44-48-27(21-68-44)12-17-34(56)49-33(22-69(65,66)67)40(61)45-19-32(42(63)50-30)52-38(59)24(4)47-35(57)20-46-39(60)26-10-15-29(55)16-11-26;/h8-17,21,23-24,30-33,36,54-55H,5-7,18-20,22H2,1-4H3,(H,45,61)(H,46,60)(H,47,57)(H,49,56)(H,50,63)(H,51,64)(H,52,59)(H,53,62)(H,65,66,67);/q;+1/p-1/b17-12+;/t23-,24-,30-,31+,32-,33-,36-;/m0./s1

SMILES Code

OC1=CC=C(C[C@@H](NC(C([C@@H](NC([C@@H](NC2=O)CCC)=O)[C@@H](C)CC)=O)=O)C3=NC(/C=C/C(N[C@H](C(NC[C@@H]2NC([C@H](C)NC(CNC(C4=CC=C(O)C=C4)=O)=O)=O)=O)CS(=O)(O[Na])=O)=O)=CS3)C=C1

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 1,020.07 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

Cui Y, Zhang M, Xu H, Zhang T, Zhang S, Zhao X, Jiang P, Li J, Ye B, Sun Y, Wang M, Deng Y, Meng Q, Liu Y, Fu Q, Lin J, Wang L, Chen Y. Elastase Inhibitor Cyclotheonellazole A: Total Synthesis and In Vivo Biological Evaluation for Acute Lung Injury. J Med Chem. 2022 Feb 24;65(4):2971-2987. doi: 10.1021/acs.jmedchem.1c01583. Epub 2022 Jan 10. PMID: 35005973; PMCID: PMC8936052.