RNAIII-inhibiting peptide (TFA) is a potent Staphylococcus aureus peptide inhibitor that is effective in diseases such as cellulitis, keratitis, septic arthritis, osteomyositis and mastitis.

Physicochemical Properties

Molecular Formula	C47H57F3N10O13
Molecular Weight	1027.01
Exact Mass	1026.405
CAS #	2703745-76-8
PubChem CID	134128288
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	22
Heavy Atom Count	73
Complexity	1790
Defined Atom Stereocenter Count	8
SMILES	FC(C(=O)O)(F)F.O=C([C@@H]1CCCN1C([C@H](CO)NC([C@H](CC1C=CC(=CC=1)O)N)=O)=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CC1C=CC=CC=1)=O)CC(N)=O)=O)[C@@H](C)O)=O)CC1=CNC2C=CC=CC1=2
InChi Key	UFMWBLWECSYAKK-TUPMYQNZSA-N
InChi Code	InChI=1S/C45H56N10O11.C2HF3O2/c1-24(57)38(44(65)52-34(21-37(47)59)41(62)50-32(39(48)60)19-25-8-3-2-4-9-25)54-42(63)33(20-27-22-49-31-11-6-5-10-29(27)31)51-43(64)36-12-7-17-55(36)45(66)35(23-56)53-40(61)30(46)18-26-13-15-28(58)16-14-26;3-2(4,5)1(6)7/h2-6,8-11,13-16,22,24,30,32-36,38,49,56-58H,7,12,17-21,23,46H2,1H3,(H2,47,59)(H2,48,60)(H,50,62)(H,51,64)(H,52,65)(H,53,61)(H,54,63);(H,6,7)/t24-,30+,32+,33+,34+,35+,36+,38+;/m1./s1
Chemical Name	(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide;2,2,2-trifluoroacetic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	Staphylococcus aureus[1]
ln Vitro	Staphylococcus aureus is effectively inhibited by RNAIII-inhibiting peptide (TFA). While RAP activates in wild type S, RNAIII-inhibiting peptide (RIP) suppresses the synthesis of both RNAII and RNAIII. cells of aureus. In the absence of serum, RNAIII-inhibiting peptide (5 μg/106 cells) significantly decreases bacterial cell adhesion to HEp2 cells, while in the presence of serum, this reduction is just marginal. RAP phosphorylates TRAP while RNAIII-inhibiting peptide inhibits it[1].
ln Vivo	In mice challenged with S, RNAIII-inhibiting peptide (20 mg/kg, iv) reduces lethality. fatality rate of 70% for aureus ATCC 25923, which drops to 20%, 15%, and 10% when cefazolin, imipenem, and vancomycin are added. In mice challenged with S, RNAIII-inhibiting peptide (20 mg/kg, iv) also reduces lethality. cefazolin, imipenem, and vancomycin reduce the fatality rate of aureus Smith, which is 75%, to 30%, 10%, and 10%, respectively[2].
References	[1]. Gov Y, et al. RNAIII inhibiting peptide (RIP), a global inhibitor of Staphylococcus aureus pathogenesis: structure and function analysis. Peptides. 2001 Oct;22(10):1609-20. [2]. Giacometti A, et al. RNAIII-inhibiting peptide improves efficacy of clinically used antibiotics in a murine model of staphylococcal sepsis. Peptides. 2005 Feb;26(2):169-75

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 150 mg/mL (146.06 mM) H2O : 100 mg/mL (97.37 mM)

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.9737 mL	4.8685 mL	9.7370 mL
	5 mM	0.1947 mL	0.9737 mL	1.9474 mL
	10 mM	0.0974 mL	0.4869 mL	0.9737 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.