Integracin B | CAS# 224186-05-4 | Fungal Metabolite

MedKoo Cat#: 574171 | Name: Integracin B

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Description:

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

Integracin B is a fungal metabolite and an inhibitor of HIV-1 integrase.

Chemical Structure

Integracin B

CAS#224186-05-4

Theoretical Analysis

MedKoo Cat#: 574171

Name: Integracin B

CAS#: 224186-05-4

Chemical Formula: C35H54O7

Exact Mass: 586.3870

Molecular Weight: 586.81

Elemental Analysis: C, 71.64; H, 9.28; O, 19.09

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 500.00	2 Weeks

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Related CAS #

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Synonym

Integracin B

IUPAC/Chemical Name

2,4-dihydroxy-6-[(8R)-8-hydroxyundecyl]-benzoic acid, (1R)-8-(3,5-dihydroxyphenyl)-1-propyloctyl ester

InChi Key

IKNYNBVDLOWJFN-AKGWNBJDSA-N

InChi Code

InChI=1S/C35H54O7/c1-3-15-28(36)19-13-9-6-8-12-18-27-23-31(39)25-33(40)34(27)35(41)42-32(16-4-2)20-14-10-5-7-11-17-26-21-29(37)24-30(38)22-26/h21-25,28,32,36-40H,3-20H2,1-2H3/t28-,32-/m1/s1

SMILES Code

OC1=CC(O)=C(C(O[C@H](CCC)CCCCCCCC2=CC(O)=CC(O)=C2)=O)C(CCCCCCC[C@@H](CCC)O)=C1

Appearance

Oil

Purity

>95% (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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Integracin B is a potent dimeric alkyl aromatic inhibitor of HIV-1 integrase discovered from the screening of fungal extracts using an in vitro assay. Integracin B inhibits both coupled and strand transfer activity of HIV-1 integrase.

In vitro activity:

Compounds 4 (integracin A) and 5 (integracin B) displayed significant cytotoxicity against human cancer cell line HepG2 (IC50 values of 5.98 ± 0.12 µM and 9.97 ± 0.06 µM, respectively), more potent than the positive control 5-fluorouracil (IC50 value of 43.50 ± 3.69 µM). Reference: Molecules. 2020 Sep 15;25(18):4224. https://pubmed.ncbi.nlm.nih.gov/32942587/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	0.00
	Soluble in Methanol	0.0	0.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 586.81 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

Formulation protocol:

1. Wei C, Deng Q, Sun M, Xu J. Cytospyrone and Cytospomarin: Two New Polyketides Isolated from Mangrove Endophytic Fungus, Cytospora sp. Molecules. 2020 Sep 15;25(18):4224. doi: 10.3390/molecules25184224. PMID: 32942587; PMCID: PMC7570828.

In vitro protocol:

In vivo protocol:

TBD

1. Singh, S.B., Zink, D.L., Bills, G.F., et al. Discovery, structure and HIV-1 integrase inhibitory activities of integracins, novel dimeric alkyl aromatics from Cytonaema sp. Tetrahedron Lett. 43(9), 1617-1620 (2002).