MedKoo Cat#: 574154 | Name: CAP 3
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Description:

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

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.

Chemical Structure

CAP 3
CAP 3
CAS#2292123-03-4

Theoretical Analysis

MedKoo Cat#: 574154

Name: CAP 3

CAS#: 2292123-03-4

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

Price and Availability

Size Price Availability Quantity
5mg USD 525.00 2 Weeks
10mg USD 950.00 2 Weeks
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Related CAS #
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Synonym
CAP 3; CAP3; 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-((S)-2-amino-3-methylbutanamido)acetate)
InChi Key
XOMVHDKAGAIFOU-ZJADFBSCSA-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@@H]([C@@H](CCC(OCC3=CC=CC=C3)=O)C)CC[C@@]1([H])[C@]4([H])[C@H](OC(CNC([C@@H](N)C(C)C)=O)=O)C[C@]5([H])C[C@H](OC(CNC([C@@H](N)C(C)C)=O)=O)CC[C@]5(C)[C@@]4([H])C[C@@H]2OC(CNC([C@@H](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
More Info

Preparing Stock Solutions

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.

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
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).