Circulin B

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

MedKoo CAT#: 412945

CAS#: 20905-50-4 (B)

Description: Circulin B is an antibacterial

Chemical Structure

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Circulin B
CAS# 20905-50-4 (B)
Instruction

Theoretical Analysis

MedKoo Cat#: 412945
Name: Circulin B
CAS#: 20905-50-4 (B)
Chemical Formula: C52H98N16O13
Exact Mass: 1,154.75
Molecular Weight: 1,155.460
Elemental Analysis: C, 54.05; H, 8.55; N, 19.40; O, 18.00

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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Related CAS #: 5854-98-8 (A)   20905-50-4 (B)  

Synonym: Circulin B

IUPAC/Chemical Name: N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-15-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methylheptanamide

InChi Key: DRHFCEIZVVAMEH-GZQYODANSA-N

InChi Code: InChI=1S/C52H98N16O13/c1-9-29(6)40-51(80)63-34(16-22-55)43(72)61-36(18-24-57)48(77)67-41(30(7)69)50(79)58-25-19-37(46(75)60-33(15-21-54)45(74)65-38(26-28(4)5)49(78)66-40)62-44(73)35(17-23-56)64-52(81)42(31(8)70)68-47(76)32(14-20-53)59-39(71)13-11-10-12-27(2)3/h27-38,40-42,69-70H,9-26,53-57H2,1-8H3,(H,58,79)(H,59,71)(H,60,75)(H,61,72)(H,62,73)(H,63,80)(H,64,81)(H,65,74)(H,66,78)(H,67,77)(H,68,76)/t29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,40-,41-,42-/m0/s1

SMILES Code: CC[C@@H]([C@@H]1NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@H](O)C)NC([C@@H](NC(CCCCC(C)C)=O)CCN)=O)=O)CCN)=O)CCNC([C@H]([C@H](O)C)NC([C@@H](NC([C@@H](NC1=O)CCN)=O)CCN)=O)=O)=O)CCN)=O)CC(C)C)=O)C

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: Soluble in DMSO

Shelf Life: >2 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 1,155.46 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: Balaraman S, Ramalingam R. The structural and functional reliability of Circulins of Chassalia parvifolia for peptide therapeutic scaffolding. J Cell Biochem. 2018 May;119(5):3999-4008. doi: 10.1002/jcb.26557. Epub 2018 Jan 22. PMID: 29231255.

2: Derua R, Gustafson KR, Pannell LK. Analysis of the disulfide linkage pattern in circulin A and B, HIV-inhibitory macrocyclic peptides. Biochem Biophys Res Commun. 1996 Nov 12;228(2):632-8. doi: 10.1006/bbrc.1996.1708. PMID: 8920961.

3: Hayashi K, Suketa Y, Suzuki T. Chemical structure of circulin B. Experientia. 1968 Jul 15;24(7):656-7. doi: 10.1007/BF02138292. PMID: 4303114.

4: Tam JP, Lu YA. A biomimetic strategy in the synthesis and fragmentation of cyclic protein. Protein Sci. 1998 Jul;7(7):1583-92. doi: 10.1002/pro.5560070712. PMID: 9684891; PMCID: PMC2144060.

5: Arold H. Synthese eines cyclischen Decapeptids mit der für das Circulin B angegebenen Struktur [Synthesis of a cyclic decapeptide having the structure proposed for circulin B]. Justus Liebigs Ann Chem. 1970 Jan;731:152-80. German. doi: 10.1002/jlac.19707310117. PMID: 5415496.

6: Tam JP, Lu YA, Yang JL, Chiu KW. An unusual structural motif of antimicrobial peptides containing end-to-end macrocycle and cystine-knot disulfides. Proc Natl Acad Sci U S A. 1999 Aug 3;96(16):8913-8. doi: 10.1073/pnas.96.16.8913. PMID: 10430870; PMCID: PMC17707.

7: DOWLING JH, KOFFLER H, REITZ HC, PETERSON DH, TETRAULT PA. Differentiation between circulins A and B and polymyxins A and E by paper chromatography. Science. 1952 Aug 8;116(3006):147-8. doi: 10.1126/science.116.3006.147. PMID: 14950216.