WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 574154
Description: CAP 3 is a cholic acid-peptide conjugate (CAP) with antibacterial activity. It is active against the Gram-negative bacteria E. coli, K. pneumoniae, and A. baumanii. CAP 3 increases the fluidity of model Gram-negative bacterial membranes and binds to LPS in vitro. It reduces the biomass and number of colony-forming units in E. coli biofilms in a concentration-dependent manner. It is cytotoxic to A459 cells and has hemolytic activity against human red blood cells.
MedKoo Cat#: 574154
Name: CAP 3
Chemical Formula: C52H82N6O11
Exact Mass: 966.6042
Molecular Weight: 967.26
Elemental Analysis: C, 64.57; H, 8.55; N, 8.69; O, 18.19
Synonym: CAP 3
IUPAC/Chemical Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-(benzyloxy)-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl tris(2-(2-amino-3-methylbutanamido)acetate)
InChi Key: XOMVHDKAGAIFOU-GNCAGIRPSA-N
InChi Code: InChI=1S/C52H82N6O11/c1-28(2)45(53)48(63)56-24-41(60)67-34-19-20-51(8)33(21-34)22-38(68-42(61)25-57-49(64)46(54)29(3)4)44-36-17-16-35(31(7)15-18-40(59)66-27-32-13-11-10-12-14-32)52(36,9)39(23-37(44)51)69-43(62)26-58-50(65)47(55)30(5)6/h10-14,28-31,33-39,44-47H,15-27,53-55H2,1-9H3,(H,56,63)(H,57,64)(H,58,65)/t31-,33+,34-,35-,36+,37+,38-,39+,44+,45?,46?,47?,51+,52-/m1/s1
SMILES Code: C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCC(OCC3=CC=CC=C3)=O)([H])[C@]4([H])[C@H](OC(CNC(C(N)C(C)C)=O)=O)C[C@]5([H])C[C@H](OC(CNC(C(N)C(C)C)=O)=O)CC[C@]5(C)[C@@]4([H])C[C@@H]1OC(CNC(C(N)C(C)C)=O)=O
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: >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
The following data is based on the product molecular weight 967.26 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|
1. Yadav, K., Kumar, S., Mishra, D., et al. Deciphering the role of intramolecular networking in cholic acid-peptide conjugates on the lipopolysaccharide surface in combating Gram-negative bacterial infections. J. Med. Chem. 62(4), 1875-1886 (2019).