Thiocoraline
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MedKoo CAT#: 462137

CAS#: 173046-02-1

Description: 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

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Thiocoraline
CAS# 173046-02-1
Instruction

Theoretical Analysis

MedKoo Cat#: 462137
Name: Thiocoraline
CAS#: 173046-02-1
Chemical Formula: C48H56N10O12S6
Exact Mass: 1,156.24
Molecular Weight: 1,157.394
Elemental Analysis: C, 49.81; H, 4.88; N, 12.10; O, 16.59; S, 16.62

Price and Availability

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1mg USD 315 2 Weeks
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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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).