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MedKoo Cat#: 462137 | Name: Thiocoraline
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Description:

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

Thiocoraline is a depsipeptide and DNA bis-intercalator with antibacterial and anticancer activities. It is active against the Gram-positive bacteria S. aureus, B. subtilis, and M. luteus.

Chemical Structure

Thiocoraline
Thiocoraline
CAS#173046-02-1

Theoretical Analysis

MedKoo Cat#: 462137

Name: Thiocoraline

CAS#: 173046-02-1

Chemical Formula: C48H56N10O12S6

Exact Mass: 1156.2403

Molecular Weight: 1157.39

Elemental Analysis: C, 49.81; H, 4.88; N, 12.10; O, 16.59; S, 16.62

Price and Availability

Size Price Availability Quantity
1mg USD 315.00 2 Weeks
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Related CAS #
No Data
Synonym
PM 93135; PM-93135; PM93135; Thiocoraline;
IUPAC/Chemical Name
N,N'-((1R,5Z,7S,11S,14R,18Z,20S,24S)-6,19-dihydroxy-2,12,15,25-tetramethyl-11,24-bis((methylthio)methyl)-3,10,13,16,23,26-hexaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triaconta-5,18-diene-7,20-diyl)bis(3-hydroxyquinoline-2-carboxamide)
InChi Key
UPGGKUQISSWRJJ-ZRBWWFCKSA-N
InChi Code
InChI=1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)/t29-,30-,31+,32+,33+,34+/m1/s1
SMILES Code
O=C([C@H](CSC)N(C([C@H]1N(C)C(CNC([C@H](NC(C2=NC(C=CC=C3)=C3C=C2O)=O)CSC([C@H](CSC)N(C)C([C@H](CSSC1)N4C)=O)=O)=O)=O)=O)C)SC[C@@H](NC(C5=NC(C=CC=C6)=C6C=C5O)=O)C(NCC4=O)=O
Appearance
Solid powder
Purity
>70% (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 1,157.39 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. Romero, F., Espilego, F., Pérez Baz, J., et al. Thiocoraline, a new depsipeptide with antitumor activity produced by a marine Micromonospora. I. Taxonomy, fermentation, isolation, and biological activities. J. Antibiot. (Tokyo) 50(9), 734-737 (1997). 2. Negri, A., Marco, E., García-Hernández, V., et al. Antitumor activity, X-ray crystal structure, and DNA binding properties of thiocoraline A, a natural bisintercalating thiodepsipeptide. J. Med. Chem. 50(14), 3322-3333 (2007).