CAP 3
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MedKoo CAT#: 574154

CAS#: NONE

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.


Chemical Structure

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CAP 3
CAS# NONE

Theoretical Analysis

MedKoo Cat#: 574154
Name: CAP 3
CAS#: NONE
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
1.0mg USD 230.0 2 Weeks
5.0mg USD 525.0 2 Weeks
10.0mg USD 895.0 2 Weeks
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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

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

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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).

CAP 3

1.0mg / USD 230.0